F943-0062 Screening compound: 6-(2,3-dihydro-1H-indole-1-sulfonyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzothiazol-2-one

F943-0062 Screening compound: 6-(2,3-dihydro-1H-indole-1-sulfonyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzothiazol-2-one
F943-0062 Screening compound: 6-(2,3-dihydro-1H-indole-1-sulfonyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzothiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F943-0062
6-(2,3-dihydro-1H-indole-1-sulfonyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzothiazol-2-one

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

F943-0062

Molecular Formula

C21H21N3O4S2 (C21 H21 N3 O4 S2)

Compound Name

6-(2,3-dihydro-1H-indole-1-sulfonyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzothiazol-2-one

IUPAC name

6-(23-dihydro-1H-indole-1-sulfonyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-23-dihydro-13-benzothiazol-2-one

SMILES

O=C(CN(c(ccc(S(N(CC1)c2c1cccc2)(=O)=O)c1)c1S1)C1=O)N1CCCC1

InChI

InChI=1S/C21H21N3O4S2/c25-20(22-10-3-4-11-22)14-23-18-8-7-16(13-19(18)29-21(23)26)30(27,28)24-12-9-15-5-1-2-6-17(15)24/h1-2,5-8,13H,3-4,9-12,14H2

InChI Key

ZWUJQPFJPUZKCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27205169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.131

Distribution Coefficient, logD

3.131

Water Solubility, LogSw

-3.60

Polar Surface Area

64.088

Acid Dissociation Constant (pKa)

21.85

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F943-0062 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F943-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F943-0062?
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What is the minimum amount of F943-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F943-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F943-0062
  • 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 F943-0062 available by request