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Screening compounds

Ci-988

Also known as CI 988, 4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid, 4-[[(1R)-2-[[(2R)-3-(1H-Indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoic Acid

CAS 130332-27-3Formula C35H42N4O6Molar mass 614.74 g/mol
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Ci-988 chemical structure, C35H42N4O6, CAS 130332-27-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
130332-27-3
Formula
C35H42N4O6
Molar mass
614.74 g/mol
HS code
293399
Category
Screening compounds

What is Ci-988?

Plain description, key identifiers and synonyms

Ci-988 is a chemical substance with the molecular formula C35H42N4O6 and a molar mass of 614.74 g/mol. Its CAS registry number is 130332-27-3. The IUPAC name is 4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid
CAS number
130332-27-3
Molecular formula
C35H42N4O6
UNII
2637PDX9SI
InChIKey
FVQSSYMRZKLFDR-ZABPBAJSSA-N
InChI
InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21?,22?,24?,25?,29-,32?,35+/m0/s1
Canonical SMILES
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(NC(=O)CCC(=O)O)c1ccccc1
Isomeric SMILES
C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)NC[C@@H](C3=CC=CC=C3)NC(=O)CCC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6

Synonyms

  • CI 988
  • 4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid
  • 4-[[(1R)-2-[[(2R)-3-(1H-Indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoic Acid
  • PD-134,308
  • 4-(((1R)-2-(((2R)-3-(1H-Indol-3-yl)-2-methyl-1-oxo-2-(((tricyclo(3.3.1.13,7)dec-2-yloxy)carbonyl)amino)propyl)amino)-1-phenylethyl)amino)-4-oxobutanoic acid
  • Butanoic acid, 4-(((1R)-2-(((2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-(((tricycle(3.3.1.13,7)dec-2-yloxy)carbonyl)amino)propyl)amino)-1-phenylethyl)amino)-4-oxo-
  • 4-(((1R)-2-(((2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl)amino)-1-phenylethyl)amino)-4-oxobutanoic acid
  • 4-(((R)-2-((R)-2-(((Adamantan-2-yloxy)carbonyl)amino)-3-(1H-indol-3-yl)-2-methylpropanamido)-1-phenylethyl)amino)-4-oxobutanoic acid
  • PDSP1_000899
  • PDSP2_000885
  • 4-(((R)-2-((R)-2-(((Adamantan-2-yloxy)carbonyl)amino)-3-(1H-indol-3-yl)-2-methylpropanamido)-1-phenylethyl)amino)-4-oxobutanoicacid
  • 4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-1-phenyl-ethyl]amino]-4-oxo-butanoic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
614.74 g/molcalc.
Exact mass
614.3104 Dacalc.
LogP (octanol/water)
4.86calc.
Topological polar surface area
149.6 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
12calc.
Heavy atoms
45calc.
Rings
7calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.49calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OC1C2CC3CC(C2)CC1C3

O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OC1C2CC3CC(C2)CC1C3

7 rings, 36 atoms.

7 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Ci-988 suppliers

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Ci-988 price

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Ci-988 is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Ci-988 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ci-988, based on the data on this page

What is Ci-988?

Ci-988 is a chemical substance with the molecular formula C35H42N4O6 and a molar mass of 614.74 g/mol. Its CAS registry number is 130332-27-3. The IUPAC name is 4-[[(1R)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-1-phenylethyl]amino]-4-oxobutanoic acid.

What is the CAS number of Ci-988?

The CAS registry number of Ci-988 is 130332-27-3.

What is the molecular formula and weight of Ci-988?

The molecular formula of Ci-988 is C35H42N4O6 and its molar mass is 614.74 g/mol.

What is Ci-988 used for?

Known uses and roles of Ci-988 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Ci-988 hazardous?

No GHS hazard classification for Ci-988 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Ci-988?

Ci-988 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ci-988?

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What is the price of Ci-988?

Suppliers quote Ci-988 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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