K233-0910 Screening compound: N8-(3-methylbutyl)-5-oxo-N3-(propan-2-yl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide

K233-0910 Screening compound: N8-(3-methylbutyl)-5-oxo-N3-(propan-2-yl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
K233-0910 Screening compound: N8-(3-methylbutyl)-5-oxo-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 K233-0910
N8-(3-methylbutyl)-5-oxo-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

K233-0910

Molecular Formula

C20H24N4O3S2 (C20 H24 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCNC(c(cc1)cc(N(C(N2)=C(C(NC(C)C)=O)S3)C3=S)c1C2=O)=O

InChI

InChI=1S/C20H24N4O3S2/c1-10(2)7-8-21-17(25)12-5-6-13-14(9-12)24-16(23-18(13)26)15(29-20(24)28)19(27)22-11(3)4/h5-6,9-11H,7-8H2,1-4H3,(H,21,25)(H,22,27)(H,23,26)

InChI Key

VGSQYOMXBBAKPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.579

Distribution Coefficient, logD

2.579

Water Solubility, LogSw

-3.31

Polar Surface Area

75.162

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

K233-0910 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 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
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR

References: we are preparing a list of scientific research reports with K233-0910 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K233-0910?
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What is the minimum amount of K233-0910 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K233-0910
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K233-0910
  • 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 K233-0910 available by request