K233-0948 Screening compound: 5-oxo-N8-[3-(piperidin-1-yl)propyl]-N3-(propan-2-yl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide

K233-0948 Screening compound: 5-oxo-N8-[3-(piperidin-1-yl)propyl]-N3-(propan-2-yl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
K233-0948 Screening compound: 5-oxo-N8-[3-(piperidin-1-yl)propyl]-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 K233-0948
5-oxo-N8-[3-(piperidin-1-yl)propyl]-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

K233-0948

Molecular Formula

C23H29N5O3S2 (C23 H29 N5 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(C(SC1=S)=C(N2)N1c(cc(cc1)C(NCCCN3CCCCC3)=O)c1C2=O)=O

InChI

InChI=1S/C23H29N5O3S2/c1-14(2)25-22(31)18-19-26-21(30)16-8-7-15(13-17(16)28(19)23(32)33-18)20(29)24-9-6-12-27-10-4-3-5-11-27/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,24,29)(H,25,31)(H,26,30)

InChI Key

RWFRMXMHQNFVBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.855

Distribution Coefficient, logD

-0.741

Water Solubility, LogSw

-2.83

Polar Surface Area

78.873

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

K233-0948 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K233-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K233-0948?
Check Price and Availability of K233-0948, 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 K233-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K233-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K233-0948
  • 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 K233-0948 available by request