F943-0075 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

F943-0075 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
F943-0075 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-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 F943-0075
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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

F943-0075

Molecular Formula

C21H21N3O6S2 (C21 H21 N3 O6 S2)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-23-dihydro-13-benzothiazole-6-sulfonamide

SMILES

O=C(CN(c(ccc(S(NCc(cc1)cc2c1OCO2)(=O)=O)c1)c1S1)C1=O)N1CCCC1

InChI

InChI=1S/C21H21N3O6S2/c25-20(23-7-1-2-8-23)12-24-16-5-4-15(10-19(16)31-21(24)26)32(27,28)22-11-14-3-6-17-18(9-14)30-13-29-17/h3-6,9-10,22H,1-2,7-8,11-13H2

InChI Key

FUISUAZZGGSAIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27205175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.870

Distribution Coefficient, logD

2.870

Water Solubility, LogSw

-3.57

Polar Surface Area

91.444

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F943-0075 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 F943-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F943-0075?
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What is the minimum amount of F943-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F943-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F943-0075
  • 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 F943-0075 available by request