6481-7293 Screening compound: 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}ethan-1-one

6481-7293 Screening compound: 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}ethan-1-one
6481-7293 Screening compound: 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6481-7293
1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}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

6481-7293

Molecular Formula

C20H17FN4OS (C20 H17 FN4 OS)

Compound Name

1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}ethan-1-one

IUPAC name

1-[1-(4-fluorophenyl)-25-dimethyl-1H-pyrrol-3-yl]-2-{[124]triazolo[43-a]pyridin-3-ylsulfanyl}ethan-1-one

SMILES

Cc1cc(C(CSc2nnc3n2cccc3)=O)c(C)n1-c(cc1)ccc1F

InChI

InChI=1S/C20H17FN4OS/c1-13-11-17(14(2)25(13)16-8-6-15(21)7-9-16)18(26)12-27-20-23-22-19-5-3-4-10-24(19)20/h3-11H,12H2,1-2H3

InChI Key

MAIUTMLIMNHAMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02329096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.168

Distribution Coefficient, logD

3.168

Water Solubility, LogSw

-3.42

Polar Surface Area

38.071

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

-7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

6481-7293 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Immunological Library (6760 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6481-7293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6481-7293?
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What is the minimum amount of 6481-7293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6481-7293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6481-7293
  • 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 6481-7293 available by request