M071-0019 Screening compound: N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

M071-0019 Screening compound: N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
M071-0019 Screening compound: N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M071-0019
N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxine-6-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

M071-0019

Molecular Formula

C17H16N2O6S3 (C17 H16 N2 O6 S3)

Compound Name

N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

IUPAC name

N-[2-(ethanesulfonyl)-13-benzothiazol-6-yl]-23-dihydro-14-benzodioxine-6-sulfonamide

SMILES

CCS(c1nc(ccc(NS(c(cc2)cc3c2OCCO3)(=O)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C17H16N2O6S3/c1-2-27(20,21)17-18-13-5-3-11(9-16(13)26-17)19-28(22,23)12-4-6-14-15(10-12)25-8-7-24-14/h3-6,9-10,19H,2,7-8H2,1H3

InChI Key

ZWVPMYXASKHSKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.158

Distribution Coefficient, logD

2.143

Water Solubility, LogSw

-2.96

Polar Surface Area

95.243

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-5.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

M071-0019 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 M071-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M071-0019?
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What is the minimum amount of M071-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M071-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M071-0019
  • 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 M071-0019 available by request