D406-0325 Screening compound: 2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide

D406-0325 Screening compound: 2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
D406-0325 Screening compound: 2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D406-0325
2-{[4-(benzenesulfonyl)-2-phenyl-1H-imidazol-5-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]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

D406-0325

Molecular Formula

C26H25N3O3S2 (C26 H25 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C26H25N3O3S2/c1-18(2)19-13-15-21(16-14-19)27-23(30)17-33-25-26(34(31,32)22-11-7-4-8-12-22)29-24(28-25)20-9-5-3-6-10-20/h3-16,18H,17H2,1-2H3,(H,27,30)(H,28,29)

InChI Key

LGUSVIIPOUOVTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09964764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.147

Distribution Coefficient, logD

6.119

Water Solubility, LogSw

-5.63

Polar Surface Area

72.612

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D406-0325 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D406-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D406-0325?
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What is the minimum amount of D406-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D406-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D406-0325
  • 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 D406-0325 available by request