C735-0042 Screening compound: N-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C735-0042 Screening compound: N-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
C735-0042 Screening compound: N-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C735-0042
N-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

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

C735-0042

Molecular Formula

C16H12ClN5 (C16 H12 ClN5)

Compound Name

N-[(2-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

IUPAC name

N-[(2-chlorophenyl)methyl]-[124]triazolo[43-a]quinoxalin-4-amine

SMILES

Clc1c(CNc2nc(cccc3)c3n3c2nnc3)cccc1

InChI

InChI=1S/C16H12ClN5/c17-12-6-2-1-5-11(12)9-18-15-16-21-19-10-22(16)14-8-4-3-7-13(14)20-15/h1-8,10H,9H2,(H,18,20)

InChI Key

GRACCKFUDIMURM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.76

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.093

Distribution Coefficient, logD

3.081

Water Solubility, LogSw

-3.48

Polar Surface Area

41.400

Acid Dissociation Constant (pKa)

19.44

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

C735-0042 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 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
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C735-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C735-0042?
Check Price and Availability of C735-0042, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C735-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C735-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C735-0042
  • 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 C735-0042 available by request