M070-1113 Screening compound: 3-methyl-N-[2-(propan-2-ylsulfanyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide

M070-1113 Screening compound: 3-methyl-N-[2-(propan-2-ylsulfanyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide
M070-1113 Screening compound: 3-methyl-N-[2-(propan-2-ylsulfanyl)-1,3-benzothiazol-6-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M070-1113
3-methyl-N-[2-(propan-2-ylsulfanyl)-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

M070-1113

Molecular Formula

C17H18N2O2S3 (C17 H18 N2 O2 S3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Sc1nc(ccc(NS(c2cc(C)ccc2)(=O)=O)c2)c2s1

InChI

InChI=1S/C17H18N2O2S3/c1-11(2)22-17-18-15-8-7-13(10-16(15)23-17)19-24(20,21)14-6-4-5-12(3)9-14/h4-11,19H,1-3H3

InChI Key

BZJUTAGMQVXKGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495541

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

5.359

Distribution Coefficient, logD

5.229

Water Solubility, LogSw

-5.45

Polar Surface Area

49.969

Acid Dissociation Constant (pKa)

7.86

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

M070-1113 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with M070-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M070-1113?
Check Price and Availability of M070-1113, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M070-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M070-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M070-1113
  • 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 M070-1113 available by request