M071-0463 Screening compound: 2,4-dimethyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide

M071-0463 Screening compound: 2,4-dimethyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide
M071-0463 Screening compound: 2,4-dimethyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M071-0463
2,4-dimethyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-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

M071-0463

Molecular Formula

C18H20N2O4S3 (C18 H20 N2 O4 S3)

Compound Name

2,4-dimethyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide

IUPAC name

24-dimethyl-N-[2-(propane-1-sulfonyl)-13-benzothiazol-6-yl]benzene-1-sulfonamide

SMILES

CCCS(c1nc(ccc(NS(c2c(C)cc(C)cc2)(=O)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C18H20N2O4S3/c1-4-9-26(21,22)18-19-15-7-6-14(11-16(15)25-18)20-27(23,24)17-8-5-12(2)10-13(17)3/h5-8,10-11,20H,4,9H2,1-3H3

InChI Key

GZYQIJYODVQNTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.545

Distribution Coefficient, logD

3.717

Water Solubility, LogSw

-4.29

Polar Surface Area

79.420

Acid Dissociation Constant (pKa)

6.64

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

M071-0463 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M071-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M071-0463?
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What is the minimum amount of M071-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M071-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M071-0463
  • 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 M071-0463 available by request