F943-0025 Screening compound: N-(3-methoxyphenyl)-2-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

F943-0025 Screening compound: N-(3-methoxyphenyl)-2-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
F943-0025 Screening compound: N-(3-methoxyphenyl)-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 F943-0025
N-(3-methoxyphenyl)-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

F943-0025

Molecular Formula

C20H21N3O5S2 (C20 H21 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NS(c(cc2)cc(S3)c2N(CC(N2CCCC2)=O)C3=O)(=O)=O)c1

InChI

InChI=1S/C20H21N3O5S2/c1-28-15-6-4-5-14(11-15)21-30(26,27)16-7-8-17-18(12-16)29-20(25)23(17)13-19(24)22-9-2-3-10-22/h4-8,11-12,21H,2-3,9-10,13H2,1H3

InChI Key

IKPIXGFMVCSBIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27205160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.062

Distribution Coefficient, logD

3.041

Water Solubility, LogSw

-3.69

Polar Surface Area

80.763

Acid Dissociation Constant (pKa)

8.70

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F943-0025 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 F943-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F943-0025?
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What is the minimum amount of F943-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F943-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F943-0025
  • 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 F943-0025 available by request