M071-0411 Screening compound: N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzenesulfonamide

M071-0411 Screening compound: N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzenesulfonamide
M071-0411 Screening compound: N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M071-0411
N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzenesulfonamide

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

M071-0411

Molecular Formula

C16H16N2O4S3 (C16 H16 N2 O4 S3)

Compound Name

N-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]benzenesulfonamide

IUPAC name

N-[2-(propane-1-sulfonyl)-13-benzothiazol-6-yl]benzenesulfonamide

SMILES

CCCS(c1nc(ccc(NS(c2ccccc2)(=O)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C16H16N2O4S3/c1-2-10-24(19,20)16-17-14-9-8-12(11-15(14)23-16)18-25(21,22)13-6-4-3-5-7-13/h3-9,11,18H,2,10H2,1H3

InChI Key

WSZHYDNKQYLSTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

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

3.480

Distribution Coefficient, logD

3.151

Water Solubility, LogSw

-3.78

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

18.80

M071-0411 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M071-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M071-0411?
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What is the minimum amount of M071-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M071-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M071-0411
  • 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 M071-0411 available by request