K233-0166 Screening compound: N3-cyclopentyl-N8-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide

K233-0166 Screening compound: N3-cyclopentyl-N8-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
K233-0166 Screening compound: N3-cyclopentyl-N8-[2-(3,4-dimethoxyphenyl)ethyl]-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 K233-0166
N3-cyclopentyl-N8-[2-(3,4-dimethoxyphenyl)ethyl]-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

K233-0166

Molecular Formula

C27H28N4O5S2 (C27 H28 N4 O5 S2)

Compound Name

N3-cyclopentyl-N8-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide

IUPAC name

N3-cyclopentyl-N8-[2-(34-dimethoxyphenyl)ethyl]-5-oxo-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazoline-38-dicarboxamide

SMILES

COc(ccc(CCNC(c(cc1)cc(N(C(N2)=C(C(NC3CCCC3)=O)S3)C3=S)c1C2=O)=O)c1)c1OC

InChI

InChI=1S/C27H28N4O5S2/c1-35-20-10-7-15(13-21(20)36-2)11-12-28-24(32)16-8-9-18-19(14-16)31-23(30-25(18)33)22(38-27(31)37)26(34)29-17-5-3-4-6-17/h7-10,13-14,17H,3-6,11-12H2,1-2H3,(H,28,32)(H,29,34)(H,30,33)

InChI Key

XPOFYWYCORYVIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.68

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.727

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-3.47

Polar Surface Area

90.996

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K233-0166 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K233-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K233-0166?
Check Price and Availability of K233-0166, 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 K233-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K233-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K233-0166
  • 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 K233-0166 available by request