C301-3946 Screening compound: N-[(2-methoxyphenyl)methyl]-3-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzamide

C301-3946 Screening compound: N-[(2-methoxyphenyl)methyl]-3-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzamide
C301-3946 Screening compound: N-[(2-methoxyphenyl)methyl]-3-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3946
N-[(2-methoxyphenyl)methyl]-3-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzamide

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

C301-3946

Molecular Formula

C23H19N7O2 (C23 H19 N7 O2)

Compound Name

N-[(2-methoxyphenyl)methyl]-3-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzamide

IUPAC name

N-[(2-methoxyphenyl)methyl]-3-({[1234]tetrazolo[15-a]quinoxalin-4-yl}amino)benzamide

SMILES

COc1c(CNC(c2cc(Nc3nc(cccc4)c4n4nnnc34)ccc2)=O)cccc1

InChI

InChI=1S/C23H19N7O2/c1-32-20-12-5-2-7-16(20)14-24-23(31)15-8-6-9-17(13-15)25-21-22-27-28-29-30(22)19-11-4-3-10-18(19)26-21/h2-13H,14H2,1H3,(H,24,31)(H,25,26)

InChI Key

ZGEOSPQDQOWVCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.783

Distribution Coefficient, logD

3.782

Water Solubility, LogSw

-4.05

Polar Surface Area

86.421

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C301-3946 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

C-Met Library (15277 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-3946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3946?
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What is the minimum amount of C301-3946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3946
  • 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 C301-3946 available by request