6734-1203 Screening compound: 3-(4-chlorophenyl)-5-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole

6734-1203 Screening compound: 3-(4-chlorophenyl)-5-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
6734-1203 Screening compound: 3-(4-chlorophenyl)-5-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6734-1203
3-(4-chlorophenyl)-5-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole

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

6734-1203

Molecular Formula

C16H12ClN5OS2 (C16 H12 ClN5 OS2)

Compound Name

3-(4-chlorophenyl)-5-({[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole

IUPAC name

3-(4-chlorophenyl)-5-({[4-methyl-5-(thiophen-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)-124-oxadiazole

SMILES

Cn1c(SCc2nc(-c(cc3)ccc3Cl)no2)nnc1-c1cccs1

InChI

InChI=1S/C16H12ClN5OS2/c1-22-15(12-3-2-8-24-12)19-20-16(22)25-9-13-18-14(21-23-13)10-4-6-11(17)7-5-10/h2-8H,9H2,1H3

InChI Key

PBMKMVPAETYVGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05130094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.679

Distribution Coefficient, logD

4.677

Water Solubility, LogSw

-4.97

Polar Surface Area

57.412

Acid Dissociation Constant (pKa)

22.73

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6734-1203 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6734-1203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6734-1203?
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What is the minimum amount of 6734-1203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6734-1203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6734-1203
  • 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 6734-1203 available by request