K233-0791 Screening compound: 8-[4-(4-acetylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

K233-0791 Screening compound: 8-[4-(4-acetylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
K233-0791 Screening compound: 8-[4-(4-acetylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K233-0791
8-[4-(4-acetylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

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

K233-0791

Molecular Formula

C29H29N5O4S2 (C29 H29 N5 O4 S2)

Compound Name

8-[4-(4-acetylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

IUPAC name

8-[4-(4-acetylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-oxo-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazoline-3-carboxamide

SMILES

CC(c(cc1)ccc1N(CC1)CCN1C(c(cc1)cc(N(C(N2)=C(C(NC3CCCC3)=O)S3)C3=S)c1C2=O)=O)=O

InChI

InChI=1S/C29H29N5O4S2/c1-17(35)18-6-9-21(10-7-18)32-12-14-33(15-13-32)28(38)19-8-11-22-23(16-19)34-25(31-26(22)36)24(40-29(34)39)27(37)30-20-4-2-3-5-20/h6-11,16,20H,2-5,12-15H2,1H3,(H,30,37)(H,31,36)

InChI Key

CMMPWXAGGUSXFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.71

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.906

Distribution Coefficient, logD

2.906

Water Solubility, LogSw

-3.56

Polar Surface Area

85.216

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

K233-0791 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

KRAS-Targeted Library (16000 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with K233-0791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K233-0791?
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What is the minimum amount of K233-0791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K233-0791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K233-0791
  • 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 K233-0791 available by request