H024-0121 Screening compound: 2,3-dichloro-N-(4-{[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]amino}phenyl)benzene-1-sulfonamide

H024-0121 Screening compound: 2,3-dichloro-N-(4-{[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]amino}phenyl)benzene-1-sulfonamide
H024-0121 Screening compound: 2,3-dichloro-N-(4-{[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]amino}phenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound H024-0121
2,3-dichloro-N-(4-{[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]amino}phenyl)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

H024-0121

Molecular Formula

C22H17Cl2N3O4S (C22 H17 Cl2 N3 O4 S)

Compound Name

2,3-dichloro-N-(4-{[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]amino}phenyl)benzene-1-sulfonamide

IUPAC name

23-dichloro-N-(4-{[3-(4-methoxyphenyl)-12-oxazol-5-yl]amino}phenyl)benzene-1-sulfonamide

SMILES

COc(cc1)ccc1-c1noc(Nc(cc2)ccc2NS(c2cccc(Cl)c2Cl)(=O)=O)c1

InChI

InChI=1S/C22H17Cl2N3O4S/c1-30-17-11-5-14(6-12-17)19-13-21(31-26-19)25-15-7-9-16(10-8-15)27-32(28,29)20-4-2-3-18(23)22(20)24/h2-13,25,27H,1H3

InChI Key

KMKYEAWBPVTVBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.230

Distribution Coefficient, logD

6.217

Water Solubility, LogSw

-6.61

Polar Surface Area

79.625

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

H024-0121 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with H024-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H024-0121?
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What is the minimum amount of H024-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H024-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H024-0121
  • 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 H024-0121 available by request