5867-4140 Screening compound: 3-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-(4-fluorophenyl)propanamide

5867-4140 Screening compound: 3-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-(4-fluorophenyl)propanamide
5867-4140 Screening compound: 3-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-(4-fluorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-4140
3-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-(4-fluorophenyl)propanamide

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

5867-4140

Molecular Formula

C19H14ClFN4OS2 (C19 H14 ClFN4 OS2)

Compound Name

3-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-N-(4-fluorophenyl)propanamide

IUPAC name

3-{[5-(4-chlorophenyl)-[124]triazolo[34-b][13]thiazol-3-yl]sulfanyl}-N-(4-fluorophenyl)propanamide

SMILES

O=C(CCSc1nnc2scc(-c(cc3)ccc3Cl)n12)Nc(cc1)ccc1F

InChI

InChI=1S/C19H14ClFN4OS2/c20-13-3-1-12(2-4-13)16-11-28-19-24-23-18(25(16)19)27-10-9-17(26)22-15-7-5-14(21)6-8-15/h1-8,11H,9-10H2,(H,22,26)

InChI Key

ZSFHLXVMAMIKTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05866202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.840

Distribution Coefficient, logD

4.840

Water Solubility, LogSw

-5.02

Polar Surface Area

44.935

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

5867-4140 in Drug Discovery

Included in Screening Libraries

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 5867-4140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-4140?
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What is the minimum amount of 5867-4140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-4140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-4140
  • 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 5867-4140 available by request