K233-0169 Screening compound: N3-cyclopentyl-N8-(3-methylbutyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide

K233-0169 Screening compound: N3-cyclopentyl-N8-(3-methylbutyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
K233-0169 Screening compound: N3-cyclopentyl-N8-(3-methylbutyl)-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 K233-0169
N3-cyclopentyl-N8-(3-methylbutyl)-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

K233-0169

Molecular Formula

C22H26N4O3S2 (C22 H26 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H26N4O3S2/c1-12(2)9-10-23-19(27)13-7-8-15-16(11-13)26-18(25-20(15)28)17(31-22(26)30)21(29)24-14-5-3-4-6-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,23,27)(H,24,29)(H,25,28)

InChI Key

BATAARNTOMCHOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.61

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

3.302

Distribution Coefficient, logD

3.302

Water Solubility, LogSw

-3.90

Polar Surface Area

76.007

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

K233-0169 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 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:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with K233-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K233-0169?
Check Price and Availability of K233-0169, 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 K233-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K233-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K233-0169
  • 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 K233-0169 available by request