M071-0521 Screening compound: 1-(3,4-dimethylphenyl)-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]methanesulfonamide

M071-0521 Screening compound: 1-(3,4-dimethylphenyl)-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]methanesulfonamide
M071-0521 Screening compound: 1-(3,4-dimethylphenyl)-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M071-0521
1-(3,4-dimethylphenyl)-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]methanesulfonamide

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

M071-0521

Molecular Formula

C19H22N2O4S3 (C19 H22 N2 O4 S3)

Compound Name

1-(3,4-dimethylphenyl)-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]methanesulfonamide

IUPAC name

1-(34-dimethylphenyl)-N-[2-(propane-1-sulfonyl)-13-benzothiazol-6-yl]methanesulfonamide

SMILES

CCCS(c1nc(ccc(NS(Cc2cc(C)c(C)cc2)(=O)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C19H22N2O4S3/c1-4-9-27(22,23)19-20-17-8-7-16(11-18(17)26-19)21-28(24,25)12-15-6-5-13(2)14(3)10-15/h5-8,10-11,21H,4,9,12H2,1-3H3

InChI Key

LOASRCXXQZCSLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.820

Distribution Coefficient, logD

4.432

Water Solubility, LogSw

-4.63

Polar Surface Area

81.047

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

M071-0521 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M071-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M071-0521?
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What is the minimum amount of M071-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M071-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M071-0521
  • 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 M071-0521 available by request