6734-1199 Screening compound: 3-(4-chlorophenyl)-5-{[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole

6734-1199 Screening compound: 3-(4-chlorophenyl)-5-{[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
6734-1199 Screening compound: 3-(4-chlorophenyl)-5-{[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6734-1199
3-(4-chlorophenyl)-5-{[(5-methyl-4-phenyl-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

6734-1199

Molecular Formula

C18H14ClN5OS (C18 H14 ClN5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(n1-c2ccccc2)nnc1SCc1nc(-c(cc2)ccc2Cl)no1

InChI

InChI=1S/C18H14ClN5OS/c1-12-21-22-18(24(12)15-5-3-2-4-6-15)26-11-16-20-17(23-25-16)13-7-9-14(19)10-8-13/h2-10H,11H2,1H3

InChI Key

UCKVMTLKGJWUSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04150667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.86

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

4.261

Distribution Coefficient, logD

4.260

Water Solubility, LogSw

-4.66

Polar Surface Area

57.104

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

6734-1199 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 6734-1199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6734-1199?
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What is the minimum amount of 6734-1199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6734-1199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6734-1199
  • 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 6734-1199 available by request