M070-0972 Screening compound: 4-fluoro-N-(2-{[(pyridin-3-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzene-1-sulfonamide

M070-0972 Screening compound: 4-fluoro-N-(2-{[(pyridin-3-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzene-1-sulfonamide
M070-0972 Screening compound: 4-fluoro-N-(2-{[(pyridin-3-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M070-0972
4-fluoro-N-(2-{[(pyridin-3-yl)methyl]sulfanyl}-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

M070-0972

Molecular Formula

C19H14FN3O2S3 (C19 H14 FN3 O2 S3)

Compound Name

4-fluoro-N-(2-{[(pyridin-3-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)benzene-1-sulfonamide

IUPAC name

4-fluoro-N-(2-{[(pyridin-3-yl)methyl]sulfanyl}-13-benzothiazol-6-yl)benzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1F)(Nc(cc1)cc2c1nc(SCc1cnccc1)s2)=O

InChI

InChI=1S/C19H14FN3O2S3/c20-14-3-6-16(7-4-14)28(24,25)23-15-5-8-17-18(10-15)27-19(22-17)26-12-13-2-1-9-21-11-13/h1-11,23H,12H2

InChI Key

RFRKNBKOZAKZFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.393

Distribution Coefficient, logD

4.034

Water Solubility, LogSw

-4.21

Polar Surface Area

59.216

Acid Dissociation Constant (pKa)

7.44

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

M070-0972 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with M070-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M070-0972?
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What is the minimum amount of M070-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M070-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M070-0972
  • 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 M070-0972 available by request