D406-0452 Screening compound: N-(2,4-dimethoxyphenyl)-2-{[4-(4-methylbenzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}acetamide

D406-0452 Screening compound: N-(2,4-dimethoxyphenyl)-2-{[4-(4-methylbenzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}acetamide
D406-0452 Screening compound: N-(2,4-dimethoxyphenyl)-2-{[4-(4-methylbenzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D406-0452
N-(2,4-dimethoxyphenyl)-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

D406-0452

Molecular Formula

C26H25N3O5S2 (C26 H25 N3 O5 S2)

Compound Name

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

IUPAC name

N-(24-dimethoxyphenyl)-2-{[4-(4-methylbenzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}acetamide

SMILES

Cc(cc1)ccc1S(c(nc(-c1ccccc1)[nH]1)c1SCC(Nc(ccc(OC)c1)c1OC)=O)(=O)=O

InChI

InChI=1S/C26H25N3O5S2/c1-17-9-12-20(13-10-17)36(31,32)26-25(28-24(29-26)18-7-5-4-6-8-18)35-16-23(30)27-21-14-11-19(33-2)15-22(21)34-3/h4-15H,16H2,1-3H3,(H,27,30)(H,28,29)

InChI Key

CFDPYGOPTRDYDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09964851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.163

Distribution Coefficient, logD

5.134

Water Solubility, LogSw

-4.97

Polar Surface Area

87.088

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D406-0452 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 D406-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D406-0452?
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What is the minimum amount of D406-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D406-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D406-0452
  • 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 D406-0452 available by request