M073-0804 Screening compound: 3-chloro-4-fluoro-N-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]benzamide

M073-0804 Screening compound: 3-chloro-4-fluoro-N-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]benzamide
M073-0804 Screening compound: 3-chloro-4-fluoro-N-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M073-0804
3-chloro-4-fluoro-N-[2-(propane-2-sulfonyl)-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

M073-0804

Molecular Formula

C17H14ClFN2O3S2 (C17 H14 ClFN2 O3 S2)

Compound Name

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

IUPAC name

3-chloro-4-fluoro-N-[2-(propane-2-sulfonyl)-13-benzothiazol-6-yl]benzamide

SMILES

CC(C)S(c1nc(ccc(NC(c(cc2)cc(Cl)c2F)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C17H14ClFN2O3S2/c1-9(2)26(23,24)17-21-14-6-4-11(8-15(14)25-17)20-16(22)10-3-5-13(19)12(18)7-10/h3-9H,1-2H3,(H,20,22)

InChI Key

PYHAJQUSNCLKSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.290

Distribution Coefficient, logD

4.172

Water Solubility, LogSw

-4.59

Polar Surface Area

62.597

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

M073-0804 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 M073-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M073-0804?
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What is the minimum amount of M073-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M073-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M073-0804
  • 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 M073-0804 available by request