C301-4884 Screening compound: 8-benzoyl-4-(benzylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoxaline

C301-4884 Screening compound: 8-benzoyl-4-(benzylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoxaline
C301-4884 Screening compound: 8-benzoyl-4-(benzylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4884
8-benzoyl-4-(benzylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoxaline

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

C301-4884

Molecular Formula

C23H16N4OS (C23 H16 N4 OS)

Compound Name

8-benzoyl-4-(benzylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoxaline

IUPAC name

8-benzoyl-4-(benzylsulfanyl)-[124]triazolo[43-a]quinoxaline

SMILES

O=C(c1ccccc1)c(cc1)cc(n2c3nnc2)c1nc3SCc1ccccc1

InChI

InChI=1S/C23H16N4OS/c28-21(17-9-5-2-6-10-17)18-11-12-19-20(13-18)27-15-24-26-22(27)23(25-19)29-14-16-7-3-1-4-8-16/h1-13,15H,14H2

InChI Key

ZHBSECGHUKIJJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13899563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.371

Distribution Coefficient, logD

4.371

Water Solubility, LogSw

-4.50

Polar Surface Area

43.853

Acid Dissociation Constant (pKa)

24.92

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

C301-4884 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-4884 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4884?
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What is the minimum amount of C301-4884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4884
  • 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 C301-4884 available by request