3172-0918 Screening compound: 4-chloro-N-{3-[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)amino]quinoxalin-2-yl}benzene-1-sulfonamide

3172-0918 Screening compound: 4-chloro-N-{3-[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)amino]quinoxalin-2-yl}benzene-1-sulfonamide
3172-0918 Screening compound: 4-chloro-N-{3-[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)amino]quinoxalin-2-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3172-0918
4-chloro-N-{3-[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)amino]quinoxalin-2-yl}benzene-1-sulfonamide

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

3172-0918

Molecular Formula

C21H15ClN6O3S (C21 H15 ClN6 O3 S)

Compound Name

4-chloro-N-{3-[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)amino]quinoxalin-2-yl}benzene-1-sulfonamide

IUPAC name

4-chloro-N-{3-[(2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)amino]quinoxalin-2-yl}benzene-1-sulfonamide

SMILES

O=C1Nc(cc(cc2)Nc3nc4ccccc4nc3NS(c(cc3)ccc3Cl)(=O)=O)c2N1

InChI

InChI=1S/C21H15ClN6O3S/c22-12-5-8-14(9-6-12)32(30,31)28-20-19(24-15-3-1-2-4-16(15)25-20)23-13-7-10-17-18(11-13)27-21(29)26-17/h1-11H,(H,23,24)(H,25,28)(H2,26,27,29)

InChI Key

LUGQWQBLRXPSJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02215577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.319

Distribution Coefficient, logD

2.773

Water Solubility, LogSw

-4.70

Polar Surface Area

103.740

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3172-0918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3172-0918?
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What is the minimum amount of 3172-0918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3172-0918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3172-0918
  • 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 3172-0918 available by request