K233-0761 Screening compound: N8-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-N3-cyclopentyl-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide

K233-0761 Screening compound: N8-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-N3-cyclopentyl-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
K233-0761 Screening compound: N8-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-N3-cyclopentyl-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K233-0761
N8-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-N3-cyclopentyl-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide

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

K233-0761

Molecular Formula

C30H33ClN6O3S2 (C30 H33 ClN6 O3 S2)

Compound Name

N8-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-N3-cyclopentyl-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide

IUPAC name

N8-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-N3-cyclopentyl-5-oxo-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazoline-38-dicarboxamide

SMILES

O=C(C(SC1=S)=C(N2)N1c(cc(cc1)C(NCCCN(CC3)CCN3c3cccc(Cl)c3)=O)c1C2=O)NC1CCCC1

InChI

InChI=1S/C30H33ClN6O3S2/c31-20-5-3-8-22(18-20)36-15-13-35(14-16-36)12-4-11-32-27(38)19-9-10-23-24(17-19)37-26(34-28(23)39)25(42-30(37)41)29(40)33-21-6-1-2-7-21/h3,5,8-10,17-18,21H,1-2,4,6-7,11-16H2,(H,32,38)(H,33,40)(H,34,39)

InChI Key

YENSNQJCQFHUSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

625.22

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.786

Distribution Coefficient, logD

3.242

Water Solubility, LogSw

-4.37

Polar Surface Area

82.978

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

K233-0761 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Anticancer Library (62698 compounds)

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K233-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K233-0761?
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What is the minimum amount of K233-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K233-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K233-0761
  • 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 K233-0761 available by request