D406-0397 Screening compound: 2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-cyclohexylacetamide

D406-0397 Screening compound: 2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-cyclohexylacetamide
D406-0397 Screening compound: 2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D406-0397
2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-cyclohexylacetamide

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

D406-0397

Molecular Formula

C24H27N3O3S2 (C24 H27 N3 O3 S2)

Compound Name

2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-cyclohexylacetamide

IUPAC name

2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-cyclohexylacetamide

SMILES

Cc(cc1)ccc1-c([nH]1)nc(S(c2ccccc2)(=O)=O)c1SCC(NC1CCCCC1)=O

InChI

InChI=1S/C24H27N3O3S2/c1-17-12-14-18(15-13-17)22-26-23(31-16-21(28)25-19-8-4-2-5-9-19)24(27-22)32(29,30)20-10-6-3-7-11-20/h3,6-7,10-15,19H,2,4-5,8-9,16H2,1H3,(H,25,28)(H,26,27)

InChI Key

CTKCKQVYXGTMLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09964816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.234

Distribution Coefficient, logD

5.206

Water Solubility, LogSw

-4.95

Polar Surface Area

73.659

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D406-0397 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D406-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D406-0397?
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What is the minimum amount of D406-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D406-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D406-0397
  • 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 D406-0397 available by request