M071-0495 Screening compound: N-(2-chloro-4-{[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]sulfamoyl}phenyl)acetamide

M071-0495 Screening compound: N-(2-chloro-4-{[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]sulfamoyl}phenyl)acetamide
M071-0495 Screening compound: N-(2-chloro-4-{[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]sulfamoyl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M071-0495
N-(2-chloro-4-{[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]sulfamoyl}phenyl)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

M071-0495

Molecular Formula

C18H18ClN3O5S3 (C18 H18 ClN3 O5 S3)

Compound Name

N-(2-chloro-4-{[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]sulfamoyl}phenyl)acetamide

IUPAC name

N-(2-chloro-4-{[2-(propane-1-sulfonyl)-13-benzothiazol-6-yl]sulfamoyl}phenyl)acetamide

SMILES

CCCS(c1nc(ccc(NS(c(cc2)cc(Cl)c2NC(C)=O)(=O)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C18H18ClN3O5S3/c1-3-8-29(24,25)18-21-16-6-4-12(9-17(16)28-18)22-30(26,27)13-5-7-15(14(19)10-13)20-11(2)23/h4-7,9-10,22H,3,8H2,1-2H3,(H,20,23)

InChI Key

PEZNRINUTYZPCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.01

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.940

Distribution Coefficient, logD

2.878

Water Solubility, LogSw

-3.49

Polar Surface Area

101.984

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

M071-0495 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M071-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M071-0495?
Check Price and Availability of M071-0495, 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 M071-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M071-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M071-0495
  • 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 M071-0495 available by request