D406-0306 Screening compound: 2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide

D406-0306 Screening compound: 2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide
D406-0306 Screening compound: 2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D406-0306
2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide

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

D406-0306

Molecular Formula

C24H20ClN3O3S2 (C24 H20 ClN3 O3 S2)

Compound Name

2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide

IUPAC name

2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-N-(3-chloro-4-methylphenyl)acetamide

SMILES

Cc(ccc(NC(CSc([nH]c(-c1ccccc1)n1)c1S(c1ccccc1)(=O)=O)=O)c1)c1Cl

InChI

InChI=1S/C24H20ClN3O3S2/c1-16-12-13-18(14-20(16)25)26-21(29)15-32-23-24(33(30,31)19-10-6-3-7-11-19)28-22(27-23)17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H,26,29)(H,27,28)

InChI Key

KMKOVTRTOOARNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09964754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.03

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

6.199

Distribution Coefficient, logD

6.171

Water Solubility, LogSw

-6.06

Polar Surface Area

72.612

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D406-0306 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D406-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D406-0306?
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What is the minimum amount of D406-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D406-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D406-0306
  • 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 D406-0306 available by request