K233-0838 Screening compound: 7,8-diethoxy-5-oxo-N-(2-phenylethyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

K233-0838 Screening compound: 7,8-diethoxy-5-oxo-N-(2-phenylethyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
K233-0838 Screening compound: 7,8-diethoxy-5-oxo-N-(2-phenylethyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K233-0838
7,8-diethoxy-5-oxo-N-(2-phenylethyl)-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

K233-0838

Molecular Formula

C23H23N3O4S2 (C23 H23 N3 O4 S2)

Compound Name

7,8-diethoxy-5-oxo-N-(2-phenylethyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

IUPAC name

78-diethoxy-5-oxo-N-(2-phenylethyl)-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazoline-3-carboxamide

SMILES

CCOc(c(OCC)c1)cc(C(NC2=C(C(NCCc3ccccc3)=O)S3)=O)c1N2C3=S

InChI

InChI=1S/C23H23N3O4S2/c1-3-29-17-12-15-16(13-18(17)30-4-2)26-20(25-21(15)27)19(32-23(26)31)22(28)24-11-10-14-8-6-5-7-9-14/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,24,28)(H,25,27)

InChI Key

KSHLRYYIICYASU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.727

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-3.54

Polar Surface Area

65.651

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

K233-0838 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K233-0838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K233-0838?
Check Price and Availability of K233-0838, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K233-0838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K233-0838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K233-0838
  • 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 K233-0838 available by request