M073-1031 Screening compound: 2-(4-fluorophenoxy)-N-[2-(2-methylpropanesulfonyl)-1,3-benzothiazol-6-yl]acetamide

M073-1031 Screening compound: 2-(4-fluorophenoxy)-N-[2-(2-methylpropanesulfonyl)-1,3-benzothiazol-6-yl]acetamide
M073-1031 Screening compound: 2-(4-fluorophenoxy)-N-[2-(2-methylpropanesulfonyl)-1,3-benzothiazol-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M073-1031
2-(4-fluorophenoxy)-N-[2-(2-methylpropanesulfonyl)-1,3-benzothiazol-6-yl]acetamide

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

M073-1031

Molecular Formula

C19H19FN2O4S2 (C19 H19 FN2 O4 S2)

Compound Name

2-(4-fluorophenoxy)-N-[2-(2-methylpropanesulfonyl)-1,3-benzothiazol-6-yl]acetamide

IUPAC name

2-(4-fluorophenoxy)-N-[2-(2-methylpropanesulfonyl)-13-benzothiazol-6-yl]acetamide

SMILES

CC(C)CS(c1nc(ccc(NC(COc(cc2)ccc2F)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C19H19FN2O4S2/c1-12(2)11-28(24,25)19-22-16-8-5-14(9-17(16)27-19)21-18(23)10-26-15-6-3-13(20)4-7-15/h3-9,12H,10-11H2,1-2H3,(H,21,23)

InChI Key

XNJWYJARDHFLNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.346

Distribution Coefficient, logD

4.346

Water Solubility, LogSw

-4.27

Polar Surface Area

69.147

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

M073-1031 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M073-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M073-1031?
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What is the minimum amount of M073-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M073-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M073-1031
  • 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 M073-1031 available by request