K233-0906 Screening compound: 5-oxo-N8-(prop-2-en-1-yl)-N3-(propan-2-yl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide

K233-0906 Screening compound: 5-oxo-N8-(prop-2-en-1-yl)-N3-(propan-2-yl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
K233-0906 Screening compound: 5-oxo-N8-(prop-2-en-1-yl)-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 K233-0906
5-oxo-N8-(prop-2-en-1-yl)-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

K233-0906

Molecular Formula

C18H18N4O3S2 (C18 H18 N4 O3 S2)

Compound Name

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

IUPAC name

5-oxo-N8-(prop-2-en-1-yl)-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(NCC=C)=O)c1C2=O)=O

InChI

InChI=1S/C18H18N4O3S2/c1-4-7-19-15(23)10-5-6-11-12(8-10)22-14(21-16(11)24)13(27-18(22)26)17(25)20-9(2)3/h4-6,8-9H,1,7H2,2-3H3,(H,19,23)(H,20,25)(H,21,24)

InChI Key

KJJJFRNBWZTNKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.382

Distribution Coefficient, logD

1.382

Water Solubility, LogSw

-2.59

Polar Surface Area

75.162

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K233-0906 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K233-0906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K233-0906?
Check Price and Availability of K233-0906, 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 K233-0906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K233-0906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K233-0906
  • 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 K233-0906 available by request