M070-1614 Screening compound: 2-[(6-ethanesulfonamido-1,3-benzothiazol-2-yl)sulfanyl]-N-[(pyridin-3-yl)methyl]acetamide

M070-1614 Screening compound: 2-[(6-ethanesulfonamido-1,3-benzothiazol-2-yl)sulfanyl]-N-[(pyridin-3-yl)methyl]acetamide
M070-1614 Screening compound: 2-[(6-ethanesulfonamido-1,3-benzothiazol-2-yl)sulfanyl]-N-[(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M070-1614
2-[(6-ethanesulfonamido-1,3-benzothiazol-2-yl)sulfanyl]-N-[(pyridin-3-yl)methyl]acetamide

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

M070-1614

Molecular Formula

C17H18N4O3S3 (C17 H18 N4 O3 S3)

Compound Name

2-[(6-ethanesulfonamido-1,3-benzothiazol-2-yl)sulfanyl]-N-[(pyridin-3-yl)methyl]acetamide

IUPAC name

2-[(6-ethanesulfonamido-13-benzothiazol-2-yl)sulfanyl]-N-[(pyridin-3-yl)methyl]acetamide

SMILES

CCS(Nc(cc1)cc2c1nc(SCC(NCc1cnccc1)=O)s2)(=O)=O

InChI

InChI=1S/C17H18N4O3S3/c1-2-27(23,24)21-13-5-6-14-15(8-13)26-17(20-14)25-11-16(22)19-10-12-4-3-7-18-9-12/h3-9,21H,2,10-11H2,1H3,(H,19,22)

InChI Key

SVEVIBAMMAQHAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.411

Distribution Coefficient, logD

2.395

Water Solubility, LogSw

-2.46

Polar Surface Area

85.586

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

M070-1614 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M070-1614 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of M070-1614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M070-1614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M070-1614
  • 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 M070-1614 available by request