M070-0221 Screening compound: N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-2,5-dimethylbenzene-1-sulfonamide

M070-0221 Screening compound: N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-2,5-dimethylbenzene-1-sulfonamide
M070-0221 Screening compound: N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-2,5-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M070-0221
N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-2,5-dimethylbenzene-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

M070-0221

Molecular Formula

C17H18N2O2S3 (C17 H18 N2 O2 S3)

Compound Name

N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-2,5-dimethylbenzene-1-sulfonamide

IUPAC name

N-[2-(ethylsulfanyl)-13-benzothiazol-6-yl]-25-dimethylbenzene-1-sulfonamide

SMILES

CCSc1nc(ccc(NS(c2c(C)ccc(C)c2)(=O)=O)c2)c2s1

InChI

InChI=1S/C17H18N2O2S3/c1-4-22-17-18-14-8-7-13(10-15(14)23-17)19-24(20,21)16-9-11(2)5-6-12(16)3/h5-10,19H,4H2,1-3H3

InChI Key

JWTNZZCEFWUGLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.393

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-5.34

Polar Surface Area

49.969

Acid Dissociation Constant (pKa)

7.15

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

M070-0221 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M070-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M070-0221?
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What is the minimum amount of M070-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M070-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M070-0221
  • 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 M070-0221 available by request