D406-0414 Screening compound: 2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-(4-fluorophenyl)acetamide

D406-0414 Screening compound: 2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
D406-0414 Screening compound: 2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D406-0414
2-{[4-(benzenesulfonyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]sulfanyl}-N-(4-fluorophenyl)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

D406-0414

Molecular Formula

C24H20FN3O3S2 (C24 H20 FN3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c([nH]1)nc(S(c2ccccc2)(=O)=O)c1SCC(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C24H20FN3O3S2/c1-16-7-9-17(10-8-16)22-27-23(24(28-22)33(30,31)20-5-3-2-4-6-20)32-15-21(29)26-19-13-11-18(25)12-14-19/h2-14H,15H2,1H3,(H,26,29)(H,27,28)

InChI Key

DODPLBUDVPNBOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09964828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.57

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

5.367

Distribution Coefficient, logD

5.339

Water Solubility, LogSw

-5.39

Polar Surface Area

72.612

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D406-0414 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 D406-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D406-0414?
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What is the minimum amount of D406-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D406-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D406-0414
  • 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 D406-0414 available by request