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Screening compounds

Pha-793887

Also known as N-(6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)-3-methylbutanamide, PHA 793887, Butanamide, 3-methyl-N-(1,4,5,6-tetrahydro-6,6-dimethyl-5-((1-methyl-4-piperidinyl)carbonyl)pyrrolo(3,4-C)pyrazol-3-yl)-

CAS 718630-59-2Formula C19H31N5O2Molar mass 361.49 g/mol
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Pha-793887 chemical structure, C19H31N5O2, CAS 718630-59-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
718630-59-2
Formula
C19H31N5O2
Molar mass
361.49 g/mol
HS code
293339
Category
Screening compounds

What is Pha-793887?

Plain description, key identifiers and synonyms

N-[6,6-dimethyl-5-[(1-methyl-4-piperidinyl)-oxomethyl]-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamide is a piperidinecarboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-3-methylbutanamide
CAS number
718630-59-2 CAS number cross-checked
Molecular formula
C19H31N5O2
UNII
MKS45S912B
MDL number
MFCD17169992
InChIKey
HUXYBQXJVXOMKX-UHFFFAOYSA-N
InChI
InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)
SMILES (canonical and isomeric)
CC(C)CC(=O)NC1=NNC2=C1CN(C2(C)C)C(=O)C3CCN(CC3)C

Synonyms

  • N-(6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)-3-methylbutanamide
  • PHA 793887
  • Butanamide, 3-methyl-N-(1,4,5,6-tetrahydro-6,6-dimethyl-5-((1-methyl-4-piperidinyl)carbonyl)pyrrolo(3,4-C)pyrazol-3-yl)-
  • Butanamide, 3-methyl-N-[1,4,5,6-tetrahydro-6,6-dimethyl-5-[(1-methyl-4-piperidinyl)carbonyl]pyrrolo[3,4-c]pyrazol-3-yl]-
  • N-(6,6-Dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4,5,6-tetrahydropyrrolo(3,4-C)pyrazol-3-yl)-3-methylbutanamide
  • N-[6,6-Dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamide
  • N-(6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1H,4H,5H,6H-pyrrolo(3,4-c)pyrazol-3-yl)-3-methylbutanamide
  • 3-Methyl-N-[1,4,5,6-tetrahydro-6,6-dimethyl-5-[(1-methyl-4-piperidinyl)carbonyl]pyrrolo[3,4-c]pyrazol-3-yl]butanamide
  • N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamide
  • N-{6,6-Dimethyl-5-[(1-methylpiperidin-4-yl)carbonyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-3-methylbutanamide
  • 718630-59-2 (free base)
  • Sdccgsbi-0654372.p001
  • PHA-793887?
  • N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-methyl-butanamide

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
361.49 g/molcalc.
Exact mass
361.2478 Dacalc.
LogP (octanol/water)
2.31calc.
Topological polar surface area
81.33 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.74calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)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(C1CCNCC1)N1Cc2cn[nH]c2C1

O=C(C1CCNCC1)N1Cc2cn[nH]c2C1

3 rings, 16 atoms.

1 other chemical 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.

Pha-793887 suppliers

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  • Aceschem Inc
    United States, FriscoUnclaimed profile
    Pha-793887Grade, purity and minimum order on request
    Price on request
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Pha-793887 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • pharmaceutical

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 Pha-793887 is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

The HS code shown for Pha-793887 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Pha-793887, based on the data on this page

What is Pha-793887?

N-[6,6-dimethyl-5-[(1-methyl-4-piperidinyl)-oxomethyl]-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamide is a piperidinecarboxamide.

What is the CAS number of Pha-793887?

The CAS registry number of Pha-793887 is 718630-59-2.

What is the molecular formula and weight of Pha-793887?

The molecular formula of Pha-793887 is C19H31N5O2 and its molar mass is 361.49 g/mol.

What is Pha-793887 used for?

Known uses and roles of Pha-793887 include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent and pharmaceutical.

Is Pha-793887 hazardous?

No GHS hazard classification for Pha-793887 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 Pha-793887?

Pha-793887 is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pha-793887?

CompoundList lists 1 supplier of Pha-793887 in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Pha-793887?

Suppliers quote Pha-793887 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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