C301-4939 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzamide

C301-4939 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzamide
C301-4939 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-({[1,2,3,4]tetrazolo[1,5-a]quinoxalin-4-yl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4939
N-[2-(4-chlorophenyl)ethyl]-4-({[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

C301-4939

Molecular Formula

C23H18ClN7O (C23 H18 ClN7 O)

Compound Name

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

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-4-({[1234]tetrazolo[15-a]quinoxalin-4-yl}amino)benzamide

SMILES

O=C(c(cc1)ccc1Nc1nc(cccc2)c2n2nnnc12)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C23H18ClN7O/c24-17-9-5-15(6-10-17)13-14-25-23(32)16-7-11-18(12-8-16)26-21-22-28-29-30-31(22)20-4-2-1-3-19(20)27-21/h1-12H,13-14H2,(H,25,32)(H,26,27)

InChI Key

VMIIIFFYLKYJRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.789

Distribution Coefficient, logD

3.786

Water Solubility, LogSw

-4.57

Polar Surface Area

78.632

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C301-4939 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-4939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4939?
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What is the minimum amount of C301-4939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4939
  • 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 C301-4939 available by request