5867-4079 Screening compound: N-(5-phenyl-1,2,4-thiadiazol-3-yl)-3-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)propanamide

5867-4079 Screening compound: N-(5-phenyl-1,2,4-thiadiazol-3-yl)-3-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)propanamide
5867-4079 Screening compound: N-(5-phenyl-1,2,4-thiadiazol-3-yl)-3-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-4079
N-(5-phenyl-1,2,4-thiadiazol-3-yl)-3-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)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

5867-4079

Molecular Formula

C21H16N6OS3 (C21 H16 N6 OS3)

Compound Name

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

IUPAC name

N-(5-phenyl-124-thiadiazol-3-yl)-3-({5-phenyl-[124]triazolo[34-b][13]thiazol-3-yl}sulfanyl)propanamide

SMILES

O=C(CCSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(-c2ccccc2)n1

InChI

InChI=1S/C21H16N6OS3/c28-17(22-19-23-18(31-26-19)15-9-5-2-6-10-15)11-12-29-20-24-25-21-27(20)16(13-30-21)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,22,26,28)

InChI Key

SAMOBUOXBBOJHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03994706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.845

Distribution Coefficient, logD

4.845

Water Solubility, LogSw

-4.83

Polar Surface Area

66.616

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

5867-4079 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5867-4079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-4079?
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What is the minimum amount of 5867-4079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-4079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-4079
  • 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 5867-4079 available by request