6481-7378 Screening compound: ethyl 2-(2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate

6481-7378 Screening compound: ethyl 2-(2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
6481-7378 Screening compound: ethyl 2-(2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6481-7378
ethyl 2-(2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate

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

6481-7378

Molecular Formula

C21H19ClN4O3S3 (C21 H19 ClN4 O3 S3)

Compound Name

ethyl 2-(2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate

IUPAC name

ethyl 2-(2-{[5-(4-chlorophenyl)-[124]triazolo[34-b][13]thiazol-3-yl]sulfanyl}acetamido)-45-dimethylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2nnc3scc(-c(cc4)ccc4Cl)n23)=O)sc(C)c1C)=O

InChI

InChI=1S/C21H19ClN4O3S3/c1-4-29-19(28)17-11(2)12(3)32-18(17)23-16(27)10-31-21-25-24-20-26(21)15(9-30-20)13-5-7-14(22)8-6-13/h5-9H,4,10H2,1-3H3,(H,23,27)

InChI Key

MVDOIHSYXIZWGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05866332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.06

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.346

Distribution Coefficient, logD

3.280

Water Solubility, LogSw

-6.15

Polar Surface Area

65.483

Acid Dissociation Constant (pKa)

5.34

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

6481-7378 in Drug Discovery

Included in Screening Libraries

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 6481-7378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6481-7378?
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What is the minimum amount of 6481-7378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6481-7378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6481-7378
  • 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 6481-7378 available by request