F943-0003 Screening compound: N-(2,5-difluorophenyl)-2-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

F943-0003 Screening compound: N-(2,5-difluorophenyl)-2-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
F943-0003 Screening compound: N-(2,5-difluorophenyl)-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 F943-0003
N-(2,5-difluorophenyl)-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

F943-0003

Molecular Formula

C19H17F2N3O4S2 (C19 H17 F2 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(ccc(S(Nc(cc(cc1)F)c1F)(=O)=O)c1)c1S1)C1=O)N1CCCC1

InChI

InChI=1S/C19H17F2N3O4S2/c20-12-3-5-14(21)15(9-12)22-30(27,28)13-4-6-16-17(10-13)29-19(26)24(16)11-18(25)23-7-1-2-8-23/h3-6,9-10,22H,1-2,7-8,11H2

InChI Key

FJBRUYXZYZBWHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27205158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.49

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

3.152

Distribution Coefficient, logD

1.653

Water Solubility, LogSw

-3.62

Polar Surface Area

72.522

Acid Dissociation Constant (pKa)

5.92

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

F943-0003 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F943-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F943-0003?
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What is the minimum amount of F943-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F943-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F943-0003
  • 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 F943-0003 available by request