F943-0092 Screening compound: N-(2,5-dimethylphenyl)-2-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

F943-0092 Screening compound: N-(2,5-dimethylphenyl)-2-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
F943-0092 Screening compound: N-(2,5-dimethylphenyl)-2-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F943-0092
N-(2,5-dimethylphenyl)-2-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzothiazole-6-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

F943-0092

Molecular Formula

C21H23N3O4S2 (C21 H23 N3 O4 S2)

Compound Name

N-(2,5-dimethylphenyl)-2-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

IUPAC name

N-(25-dimethylphenyl)-2-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-23-dihydro-13-benzothiazole-6-sulfonamide

SMILES

Cc1cc(NS(c(cc2)cc(S3)c2N(CC(N2CCCC2)=O)C3=O)(=O)=O)c(C)cc1

InChI

InChI=1S/C21H23N3O4S2/c1-14-5-6-15(2)17(11-14)22-30(27,28)16-7-8-18-19(12-16)29-21(26)24(18)13-20(25)23-9-3-4-10-23/h5-8,11-12,22H,3-4,9-10,13H2,1-2H3

InChI Key

PJXHKFWMRMJPEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27205182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.314

Distribution Coefficient, logD

3.311

Water Solubility, LogSw

-3.81

Polar Surface Area

72.522

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F943-0092 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F943-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F943-0092?
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What is the minimum amount of F943-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F943-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F943-0092
  • 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 F943-0092 available by request