C094-2000 Screening compound: N-cyclohexyl-1-[N-(4-methylphenyl)-2-(thiophen-2-yl)acetamido]cyclohexane-1-carboxamide

C094-2000 Screening compound: N-cyclohexyl-1-[N-(4-methylphenyl)-2-(thiophen-2-yl)acetamido]cyclohexane-1-carboxamide
C094-2000 Screening compound: N-cyclohexyl-1-[N-(4-methylphenyl)-2-(thiophen-2-yl)acetamido]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2000
N-cyclohexyl-1-[N-(4-methylphenyl)-2-(thiophen-2-yl)acetamido]cyclohexane-1-carboxamide

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

C094-2000

Molecular Formula

C26H34N2O2S (C26 H34 N2 O2 S)

Compound Name

N-cyclohexyl-1-[N-(4-methylphenyl)-2-(thiophen-2-yl)acetamido]cyclohexane-1-carboxamide

IUPAC name

N-cyclohexyl-1-[N-(4-methylphenyl)-2-(thiophen-2-yl)acetamido]cyclohexane-1-carboxamide

SMILES

Cc(cc1)ccc1N(C1(CCCCC1)C(NC1CCCCC1)=O)C(Cc1cccs1)=O

InChI

InChI=1S/C26H34N2O2S/c1-20-12-14-22(15-13-20)28(24(29)19-23-11-8-18-31-23)26(16-6-3-7-17-26)25(30)27-21-9-4-2-5-10-21/h8,11-15,18,21H,2-7,9-10,16-17,19H2,1H3,(H,27,30)

InChI Key

FAUHHSKRIAWPSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.705

Distribution Coefficient, logD

5.705

Water Solubility, LogSw

-5.23

Polar Surface Area

39.555

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

C094-2000 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C094-2000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2000?
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What is the minimum amount of C094-2000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2000
  • 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 C094-2000 available by request