M071-0247 Screening compound: N-(2-methanesulfonyl-1,3-benzothiazol-6-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

M071-0247 Screening compound: N-(2-methanesulfonyl-1,3-benzothiazol-6-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
M071-0247 Screening compound: N-(2-methanesulfonyl-1,3-benzothiazol-6-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M071-0247
N-(2-methanesulfonyl-1,3-benzothiazol-6-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

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

M071-0247

Molecular Formula

C13H13N3O5S3 (C13 H13 N3 O5 S3)

Compound Name

N-(2-methanesulfonyl-1,3-benzothiazol-6-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

IUPAC name

N-(2-methanesulfonyl-13-benzothiazol-6-yl)-35-dimethyl-12-oxazole-4-sulfonamide

SMILES

Cc1noc(C)c1S(Nc(cc1)cc(s2)c1nc2S(C)(=O)=O)(=O)=O

InChI

InChI=1S/C13H13N3O5S3/c1-7-12(8(2)21-15-7)24(19,20)16-9-4-5-10-11(6-9)22-13(14-10)23(3,17)18/h4-6,16H,1-3H3

InChI Key

ZVJPOJJGCQCKBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.428

Distribution Coefficient, logD

1.308

Water Solubility, LogSw

-2.50

Polar Surface Area

102.170

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

-5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

M071-0247 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with M071-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M071-0247?
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What is the minimum amount of M071-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M071-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M071-0247
  • 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 M071-0247 available by request