K233-0946 Screening compound: 5-oxo-N8-[3-(2-oxopyrrolidin-1-yl)propyl]-N3-(propan-2-yl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide

K233-0946 Screening compound: 5-oxo-N8-[3-(2-oxopyrrolidin-1-yl)propyl]-N3-(propan-2-yl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
K233-0946 Screening compound: 5-oxo-N8-[3-(2-oxopyrrolidin-1-yl)propyl]-N3-(propan-2-yl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K233-0946
5-oxo-N8-[3-(2-oxopyrrolidin-1-yl)propyl]-N3-(propan-2-yl)-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

K233-0946

Molecular Formula

C22H25N5O4S2 (C22 H25 N5 O4 S2)

Compound Name

5-oxo-N8-[3-(2-oxopyrrolidin-1-yl)propyl]-N3-(propan-2-yl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide

IUPAC name

5-oxo-N8-[3-(2-oxopyrrolidin-1-yl)propyl]-N3-(propan-2-yl)-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazoline-38-dicarboxamide

SMILES

CC(C)NC(C(SC1=S)=C(N2)N1c(cc(cc1)C(NCCCN(CCC3)C3=O)=O)c1C2=O)=O

InChI

InChI=1S/C22H25N5O4S2/c1-12(2)24-21(31)17-18-25-20(30)14-7-6-13(11-15(14)27(18)22(32)33-17)19(29)23-8-4-10-26-9-3-5-16(26)28/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,23,29)(H,24,31)(H,25,30)

InChI Key

ZHSMWELCJGZBKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.376

Distribution Coefficient, logD

0.376

Water Solubility, LogSw

-2.50

Polar Surface Area

92.402

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

K233-0946 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 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
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Targets:
  • Kinases
  • GPCR
  • Kinases

References: we are preparing a list of scientific research reports with K233-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K233-0946?
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What is the minimum amount of K233-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K233-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K233-0946
  • 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 K233-0946 available by request