D406-0405 Screening compound: 2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-(3-methylphenyl)acetamide

D406-0405 Screening compound: 2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-(3-methylphenyl)acetamide
D406-0405 Screening compound: 2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D406-0405
2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-(3-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

D406-0405

Molecular Formula

C25H23N3O3S2 (C25 H23 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c([nH]1)nc(S(c2ccccc2)(=O)=O)c1SCC(Nc1cc(C)ccc1)=O

InChI

InChI=1S/C25H23N3O3S2/c1-17-11-13-19(14-12-17)23-27-24(25(28-23)33(30,31)21-9-4-3-5-10-21)32-16-22(29)26-20-8-6-7-18(2)15-20/h3-15H,16H2,1-2H3,(H,26,29)(H,27,28)

InChI Key

KWCUNXXFJMXPTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09964823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.61

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

5.698

Distribution Coefficient, logD

5.670

Water Solubility, LogSw

-5.47

Polar Surface Area

72.612

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D406-0405 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 D406-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D406-0405?
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What is the minimum amount of D406-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D406-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D406-0405
  • 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 D406-0405 available by request