C200-9333 Screening compound: 3-(4-bromophenyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

C200-9333 Screening compound: 3-(4-bromophenyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one
C200-9333 Screening compound: 3-(4-bromophenyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9333
3-(4-bromophenyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-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

C200-9333

Molecular Formula

C22H18BrN3O2S2 (C22 H18 BrN3 O2 S2)

Compound Name

3-(4-bromophenyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

IUPAC name

3-(4-bromophenyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazolin-5-one

SMILES

O=C(CN(C(N1c2c3cccc2)=C(c(cc2)ccc2Br)SC1=S)C3=O)N1CCCC1

InChI

InChI=1S/C22H18BrN3O2S2/c23-15-9-7-14(8-10-15)19-20-25(13-18(27)24-11-3-4-12-24)21(28)16-5-1-2-6-17(16)26(20)22(29)30-19/h1-2,5-10H,3-4,11-13H2

InChI Key

RNDYWAGXYNOYNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.561

Distribution Coefficient, logD

4.561

Water Solubility, LogSw

-4.44

Polar Surface Area

34.546

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C200-9333 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with C200-9333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9333?
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What is the minimum amount of C200-9333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9333
  • 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 C200-9333 available by request