M070-0129 Screening compound: 1-(2-chloro-6-fluorophenyl)-N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]methanesulfonamide

M070-0129 Screening compound: 1-(2-chloro-6-fluorophenyl)-N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]methanesulfonamide
M070-0129 Screening compound: 1-(2-chloro-6-fluorophenyl)-N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M070-0129
1-(2-chloro-6-fluorophenyl)-N-[2-(methylsulfanyl)-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

M070-0129

Molecular Formula

C15H12ClFN2O2S3 (C15 H12 ClFN2 O2 S3)

Compound Name

1-(2-chloro-6-fluorophenyl)-N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]methanesulfonamide

IUPAC name

1-(2-chloro-6-fluorophenyl)-N-[2-(methylsulfanyl)-13-benzothiazol-6-yl]methanesulfonamide

SMILES

CSc1nc(ccc(NS(Cc(c(F)ccc2)c2Cl)(=O)=O)c2)c2s1

InChI

InChI=1S/C15H12ClFN2O2S3/c1-22-15-18-13-6-5-9(7-14(13)23-15)19-24(20,21)8-10-11(16)3-2-4-12(10)17/h2-7,19H,8H2,1H3

InChI Key

JZBDDPVQYDDCQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.003

Distribution Coefficient, logD

4.843

Water Solubility, LogSw

-5.19

Polar Surface Area

51.597

Acid Dissociation Constant (pKa)

7.75

Base Dissociation Constant (pKb)

1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

M070-0129 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 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 M070-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M070-0129?
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What is the minimum amount of M070-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M070-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M070-0129
  • 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 M070-0129 available by request