5867-4094 Screening compound: 2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide

5867-4094 Screening compound: 2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide
5867-4094 Screening compound: 2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-4094
2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide

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

5867-4094

Molecular Formula

C18H15N5O3S3 (C18 H15 N5 O3 S3)

Compound Name

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

IUPAC name

2-({5-phenyl-[124]triazolo[34-b][13]thiazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide

SMILES

NS(c(cc1)ccc1NC(CSc1nnc2scc(-c3ccccc3)n12)=O)(=O)=O

InChI

InChI=1S/C18H15N5O3S3/c19-29(25,26)14-8-6-13(7-9-14)20-16(24)11-28-18-22-21-17-23(18)15(10-27-17)12-4-2-1-3-5-12/h1-10H,11H2,(H,20,24)(H2,19,25,26)

InChI Key

WRBIVSWGOKZUNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03867242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.373

Distribution Coefficient, logD

2.372

Water Solubility, LogSw

-2.77

Polar Surface Area

95.538

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

5867-4094 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 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 5867-4094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-4094?
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What is the minimum amount of 5867-4094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-4094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-4094
  • 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 5867-4094 available by request