C094-1901 Screening compound: N~1~-cyclopentyl-1-{[2-(2,5-dioxo-4-imidazolidinyl)acetyl]-4-methylanilino}-1-cyclohexanecarboxamide

C094-1901 Screening compound: N~1~-cyclopentyl-1-{[2-(2,5-dioxo-4-imidazolidinyl)acetyl]-4-methylanilino}-1-cyclohexanecarboxamide
C094-1901 Screening compound: N~1~-cyclopentyl-1-{[2-(2,5-dioxo-4-imidazolidinyl)acetyl]-4-methylanilino}-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1901
N~1~-cyclopentyl-1-{[2-(2,5-dioxo-4-imidazolidinyl)acetyl]-4-methylanilino}-1-cyclohexanecarboxamide

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

C094-1901

Molecular Formula

C24H32N4O4 (C24 H32 N4 O4)

Compound Name

N~1~-cyclopentyl-1-{[2-(2,5-dioxo-4-imidazolidinyl)acetyl]-4-methylanilino}-1-cyclohexanecarboxamide

IUPAC name

n/a

SMILES

Cc(cc1)ccc1N(C1(CCCCC1)C(NC1CCCC1)=O)C(CC(C(N1)=O)NC1=O)=O

InChI

InChI=1S/C24H32N4O4/c1-16-9-11-18(12-10-16)28(20(29)15-19-21(30)27-23(32)26-19)24(13-5-2-6-14-24)22(31)25-17-7-3-4-8-17/h9-12,17,19H,2-8,13-15H2,1H3,(H,25,31)(H2,26,27,30,32)/t19-/m1/s1

InChI Key

NCVNWGFUZUXLCY-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14718979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.569

Distribution Coefficient, logD

2.567

Water Solubility, LogSw

-3.01

Polar Surface Area

89.241

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.30

C094-1901 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

SH2 Library (10483 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C094-1901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1901?
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What is the minimum amount of C094-1901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1901
  • 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 C094-1901 available by request