D406-0457 Screening compound: N-(4-ethoxyphenyl)-2-{[4-(4-methylbenzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}acetamide

D406-0457 Screening compound: N-(4-ethoxyphenyl)-2-{[4-(4-methylbenzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}acetamide
D406-0457 Screening compound: N-(4-ethoxyphenyl)-2-{[4-(4-methylbenzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D406-0457
N-(4-ethoxyphenyl)-2-{[4-(4-methylbenzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}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

D406-0457

Molecular Formula

C26H25N3O4S2 (C26 H25 N3 O4 S2)

Compound Name

N-(4-ethoxyphenyl)-2-{[4-(4-methylbenzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}acetamide

IUPAC name

N-(4-ethoxyphenyl)-2-{[4-(4-methylbenzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}acetamide

SMILES

CCOc(cc1)ccc1NC(CSc([nH]c(-c1ccccc1)n1)c1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C26H25N3O4S2/c1-3-33-21-13-11-20(12-14-21)27-23(30)17-34-25-26(29-24(28-25)19-7-5-4-6-8-19)35(31,32)22-15-9-18(2)10-16-22/h4-16H,3,17H2,1-2H3,(H,27,30)(H,28,29)

InChI Key

SPWAWALDPVCSDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09964853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.787

Distribution Coefficient, logD

5.758

Water Solubility, LogSw

-5.48

Polar Surface Area

79.735

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D406-0457 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 D406-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D406-0457?
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What is the minimum amount of D406-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D406-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D406-0457
  • 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 D406-0457 available by request