D317-5176 Screening compound: 4-(4-methylbenzenesulfonyl)-2-phenyl-5-(propylsulfanyl)-1H-imidazole

D317-5176 Screening compound: 4-(4-methylbenzenesulfonyl)-2-phenyl-5-(propylsulfanyl)-1H-imidazole
D317-5176 Screening compound: 4-(4-methylbenzenesulfonyl)-2-phenyl-5-(propylsulfanyl)-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D317-5176
4-(4-methylbenzenesulfonyl)-2-phenyl-5-(propylsulfanyl)-1H-imidazole

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

D317-5176

Molecular Formula

C19H20N2O2S2 (C19 H20 N2 O2 S2)

Compound Name

4-(4-methylbenzenesulfonyl)-2-phenyl-5-(propylsulfanyl)-1H-imidazole

IUPAC name

4-(4-methylbenzenesulfonyl)-2-phenyl-5-(propylsulfanyl)-1H-imidazole

SMILES

CCCSc([nH]c(-c1ccccc1)n1)c1S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C19H20N2O2S2/c1-3-13-24-18-19(21-17(20-18)15-7-5-4-6-8-15)25(22,23)16-11-9-14(2)10-12-16/h4-12H,3,13H2,1-2H3,(H,20,21)

InChI Key

PVQIRCHVJRKQQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09961389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.298

Distribution Coefficient, logD

5.276

Water Solubility, LogSw

-5.39

Polar Surface Area

49.734

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

D317-5176 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D317-5176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D317-5176?
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What is the minimum amount of D317-5176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D317-5176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D317-5176
  • 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 D317-5176 available by request