F952-0096 Screening compound: N-(2,4-dimethylphenyl)-2-oxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

F952-0096 Screening compound: N-(2,4-dimethylphenyl)-2-oxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
F952-0096 Screening compound: N-(2,4-dimethylphenyl)-2-oxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F952-0096
N-(2,4-dimethylphenyl)-2-oxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-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

F952-0096

Molecular Formula

C22H25N3O4S2 (C22 H25 N3 O4 S2)

Compound Name

N-(2,4-dimethylphenyl)-2-oxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

IUPAC name

N-(24-dimethylphenyl)-2-oxo-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-23-dihydro-13-benzothiazole-6-sulfonamide

SMILES

Cc(cc1)cc(C)c1NS(c(cc1)cc(S2)c1N(CCC(N1CCCC1)=O)C2=O)(=O)=O

InChI

InChI=1S/C22H25N3O4S2/c1-15-5-7-18(16(2)13-15)23-31(28,29)17-6-8-19-20(14-17)30-22(27)25(19)12-9-21(26)24-10-3-4-11-24/h5-8,13-14,23H,3-4,9-12H2,1-2H3

InChI Key

BDFFYBVUZAPUFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27205803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.043

Distribution Coefficient, logD

4.037

Water Solubility, LogSw

-4.05

Polar Surface Area

72.500

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

F952-0096 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F952-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F952-0096?
Check Price and Availability of F952-0096, 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 F952-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F952-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F952-0096
  • 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 F952-0096 available by request