5867-3946 Screening compound: N-(3-acetylphenyl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}acetamide

5867-3946 Screening compound: N-(3-acetylphenyl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}acetamide
5867-3946 Screening compound: N-(3-acetylphenyl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-3946
N-(3-acetylphenyl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}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

5867-3946

Molecular Formula

C20H16N4O2S (C20 H16 N4 O2 S)

Compound Name

N-(3-acetylphenyl)-2-{[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl}acetamide

IUPAC name

N-(3-acetylphenyl)-2-{[124]triazolo[43-a]quinolin-1-ylsulfanyl}acetamide

SMILES

CC(c1cccc(NC(CSc2nnc3n2c(cccc2)c2cc3)=O)c1)=O

InChI

InChI=1S/C20H16N4O2S/c1-13(25)15-6-4-7-16(11-15)21-19(26)12-27-20-23-22-18-10-9-14-5-2-3-8-17(14)24(18)20/h2-11H,12H2,1H3,(H,21,26)

InChI Key

XQDJULKKOPACOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03994717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.197

Distribution Coefficient, logD

3.197

Water Solubility, LogSw

-3.53

Polar Surface Area

58.058

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

5867-3946 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5867-3946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-3946?
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What is the minimum amount of 5867-3946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-3946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-3946
  • 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 5867-3946 available by request