K233-0280 Screening compound: 5-oxo-N3-[(oxolan-2-yl)methyl]-N8-pentyl-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide

K233-0280 Screening compound: 5-oxo-N3-[(oxolan-2-yl)methyl]-N8-pentyl-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
K233-0280 Screening compound: 5-oxo-N3-[(oxolan-2-yl)methyl]-N8-pentyl-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K233-0280
5-oxo-N3-[(oxolan-2-yl)methyl]-N8-pentyl-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

K233-0280

Molecular Formula

C22H26N4O4S2 (C22 H26 N4 O4 S2)

Compound Name

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

IUPAC name

5-oxo-N3-[(oxolan-2-yl)methyl]-N8-pentyl-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazoline-38-dicarboxamide

SMILES

CCCCCNC(c(cc1)cc(N(C(N2)=C(C(NCC3OCCC3)=O)S3)C3=S)c1C2=O)=O

InChI

InChI=1S/C22H26N4O4S2/c1-2-3-4-9-23-19(27)13-7-8-15-16(11-13)26-18(25-20(15)28)17(32-22(26)31)21(29)24-12-14-6-5-10-30-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,23,27)(H,24,29)(H,25,28)/t14-/m1/s1

InChI Key

SMIYUZPFDZKHFF-CQSZACIVSA-N

MDL Number (MFCD)

MFCD15083258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.164

Distribution Coefficient, logD

2.164

Water Solubility, LogSw

-3.08

Polar Surface Area

84.570

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

K233-0280 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein-Protein Interaction Library (218420 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Ion Channels
  • GPCR
  • Kinases

References: we are preparing a list of scientific research reports with K233-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K233-0280?
Check Price and Availability of K233-0280, 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 K233-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K233-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K233-0280
  • 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 K233-0280 available by request