6481-7377 Screening compound: 2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one

6481-7377 Screening compound: 2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one
6481-7377 Screening compound: 2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6481-7377
2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one

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

6481-7377

Molecular Formula

C21H21ClN4O2S2 (C21 H21 ClN4 O2 S2)

Compound Name

2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one

IUPAC name

2-{[5-(4-chlorophenyl)-[124]triazolo[34-b][13]thiazol-3-yl]sulfanyl}-1-[1-(2-methoxyethyl)-25-dimethyl-1H-pyrrol-3-yl]ethan-1-one

SMILES

Cc1cc(C(CSc2nnc3scc(-c(cc4)ccc4Cl)n23)=O)c(C)n1CCOC

InChI

InChI=1S/C21H21ClN4O2S2/c1-13-10-17(14(2)25(13)8-9-28-3)19(27)12-30-21-24-23-20-26(21)18(11-29-20)15-4-6-16(22)7-5-15/h4-7,10-11H,8-9,12H2,1-3H3

InChI Key

DUSCWAXXNPPWMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04216871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.476

Distribution Coefficient, logD

4.476

Water Solubility, LogSw

-4.56

Polar Surface Area

45.546

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

6481-7377 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Human GPCR Annotated Library (5539 compounds)

Immunological Library (6760 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • 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 6481-7377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6481-7377?
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What is the minimum amount of 6481-7377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6481-7377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6481-7377
  • 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 6481-7377 available by request