C094-1902 Screening compound: N~2~-{1-[(cyclopentylamino)carbonyl]cyclohexyl}-N~2~-(4-methylphenyl)-5-oxo-2-pyrrolidinecarboxamide

C094-1902 Screening compound: N~2~-{1-[(cyclopentylamino)carbonyl]cyclohexyl}-N~2~-(4-methylphenyl)-5-oxo-2-pyrrolidinecarboxamide
C094-1902 Screening compound: N~2~-{1-[(cyclopentylamino)carbonyl]cyclohexyl}-N~2~-(4-methylphenyl)-5-oxo-2-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1902
N~2~-{1-[(cyclopentylamino)carbonyl]cyclohexyl}-N~2~-(4-methylphenyl)-5-oxo-2-pyrrolidinecarboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C094-1902

Molecular Formula

C24H33N3O3 (C24 H33 N3 O3)

Compound Name

N~2~-{1-[(cyclopentylamino)carbonyl]cyclohexyl}-N~2~-(4-methylphenyl)-5-oxo-2-pyrrolidinecarboxamide

IUPAC name

N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide

SMILES

Cc(cc1)ccc1N(C1(CCCCC1)C(NC1CCCC1)=O)C(C(CC1)NC1=O)=O

InChI

InChI=1S/C24H33N3O3/c1-17-9-11-19(12-10-17)27(22(29)20-13-14-21(28)26-20)24(15-5-2-6-16-24)23(30)25-18-7-3-4-8-18/h9-12,18,20H,2-8,13-16H2,1H3,(H,25,30)(H,26,28)/t20-/m1/s1

InChI Key

ZOHTVVGTYZXDIB-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.368

Distribution Coefficient, logD

3.366

Water Solubility, LogSw

-3.62

Polar Surface Area

65.443

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

C094-1902 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

SH2 Library (10483 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C094-1902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1902?
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What is the minimum amount of C094-1902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1902
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C094-1902 available by request