M073-0977 Screening compound: 2-chloro-4-fluoro-N-[2-(2-methylpropanesulfonyl)-1,3-benzothiazol-6-yl]benzamide

M073-0977 Screening compound: 2-chloro-4-fluoro-N-[2-(2-methylpropanesulfonyl)-1,3-benzothiazol-6-yl]benzamide
M073-0977 Screening compound: 2-chloro-4-fluoro-N-[2-(2-methylpropanesulfonyl)-1,3-benzothiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M073-0977
2-chloro-4-fluoro-N-[2-(2-methylpropanesulfonyl)-1,3-benzothiazol-6-yl]benzamide

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

M073-0977

Molecular Formula

C18H16ClFN2O3S2 (C18 H16 ClFN2 O3 S2)

Compound Name

2-chloro-4-fluoro-N-[2-(2-methylpropanesulfonyl)-1,3-benzothiazol-6-yl]benzamide

IUPAC name

2-chloro-4-fluoro-N-[2-(2-methylpropanesulfonyl)-13-benzothiazol-6-yl]benzamide

SMILES

CC(C)CS(c1nc(ccc(NC(c(ccc(F)c2)c2Cl)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C18H16ClFN2O3S2/c1-10(2)9-27(24,25)18-22-15-6-4-12(8-16(15)26-18)21-17(23)13-5-3-11(20)7-14(13)19/h3-8,10H,9H2,1-2H3,(H,21,23)

InChI Key

JBVBEHGTTBKJCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.950

Distribution Coefficient, logD

4.822

Water Solubility, LogSw

-5.02

Polar Surface Area

61.861

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

M073-0977 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M073-0977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M073-0977?
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What is the minimum amount of M073-0977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M073-0977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M073-0977
  • 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 M073-0977 available by request