F943-0111 Screening compound: 2-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-(2-phenylethyl)-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

F943-0111 Screening compound: 2-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-(2-phenylethyl)-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
F943-0111 Screening compound: 2-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-(2-phenylethyl)-2,3-dihydro-1,3-benzothiazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F943-0111
2-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-N-(2-phenylethyl)-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

F943-0111

Molecular Formula

C21H23N3O4S2 (C21 H23 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(ccc(S(NCCc1ccccc1)(=O)=O)c1)c1S1)C1=O)N1CCCC1

InChI

InChI=1S/C21H23N3O4S2/c25-20(23-12-4-5-13-23)15-24-18-9-8-17(14-19(18)29-21(24)26)30(27,28)22-11-10-16-6-2-1-3-7-16/h1-3,6-9,14,22H,4-5,10-13,15H2

InChI Key

HVFBFQHRHPRRRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27205185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.123

Distribution Coefficient, logD

3.122

Water Solubility, LogSw

-3.64

Polar Surface Area

74.170

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F943-0111 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 F943-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F943-0111?
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What is the minimum amount of F943-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F943-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F943-0111
  • 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 F943-0111 available by request