C852-0131 Screening compound: N-(5-chloro-2-methylphenyl)-2-(N-methyl2-methyl-1,3-benzothiazole-6-sulfonamido)acetamide

C852-0131 Screening compound: N-(5-chloro-2-methylphenyl)-2-(N-methyl2-methyl-1,3-benzothiazole-6-sulfonamido)acetamide
C852-0131 Screening compound: N-(5-chloro-2-methylphenyl)-2-(N-methyl2-methyl-1,3-benzothiazole-6-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C852-0131
N-(5-chloro-2-methylphenyl)-2-(N-methyl2-methyl-1,3-benzothiazole-6-sulfonamido)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

C852-0131

Molecular Formula

C18H18ClN3O3S2 (C18 H18 ClN3 O3 S2)

Compound Name

N-(5-chloro-2-methylphenyl)-2-(N-methyl2-methyl-1,3-benzothiazole-6-sulfonamido)acetamide

IUPAC name

N-(5-chloro-2-methylphenyl)-2-(N-methyl2-methyl-13-benzothiazole-6-sulfonamido)acetamide

SMILES

Cc1nc(ccc(S(N(C)CC(Nc2c(C)ccc(Cl)c2)=O)(=O)=O)c2)c2s1

InChI

InChI=1S/C18H18ClN3O3S2/c1-11-4-5-13(19)8-16(11)21-18(23)10-22(3)27(24,25)14-6-7-15-17(9-14)26-12(2)20-15/h4-9H,10H2,1-3H3,(H,21,23)

InChI Key

PVGPVSOLPICUAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

3.700

Water Solubility, LogSw

-4.10

Polar Surface Area

64.781

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C852-0131 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C852-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C852-0131?
Check Price and Availability of C852-0131, 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 C852-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C852-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C852-0131
  • 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 C852-0131 available by request