M071-0490 Screening compound: 3-methyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide

M071-0490 Screening compound: 3-methyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide
M071-0490 Screening compound: 3-methyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M071-0490
3-methyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-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

M071-0490

Molecular Formula

C17H18N2O4S3 (C17 H18 N2 O4 S3)

Compound Name

3-methyl-N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide

IUPAC name

3-methyl-N-[2-(propane-1-sulfonyl)-13-benzothiazol-6-yl]benzene-1-sulfonamide

SMILES

CCCS(c1nc(ccc(NS(c2cc(C)ccc2)(=O)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C17H18N2O4S3/c1-3-9-25(20,21)17-18-15-8-7-13(11-16(15)24-17)19-26(22,23)14-6-4-5-12(2)10-14/h4-8,10-11,19H,3,9H2,1-2H3

InChI Key

HHQQVGHSZHMPSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.994

Distribution Coefficient, logD

3.664

Water Solubility, LogSw

-3.97

Polar Surface Area

79.420

Acid Dissociation Constant (pKa)

7.34

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

M071-0490 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 M071-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M071-0490?
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What is the minimum amount of M071-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M071-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M071-0490
  • 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 M071-0490 available by request