C746-0762 Screening compound: 2-[3-(2-methylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]-N,N-dipropylacetamide

C746-0762 Screening compound: 2-[3-(2-methylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]-N,N-dipropylacetamide
C746-0762 Screening compound: 2-[3-(2-methylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]-N,N-dipropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C746-0762
2-[3-(2-methylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]-N,N-dipropylacetamide

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

C746-0762

Molecular Formula

C25H27N3O2S2 (C25 H27 N3 O2 S2)

Compound Name

2-[3-(2-methylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]-N,N-dipropylacetamide

IUPAC name

2-[3-(2-methylphenyl)-5-oxo-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazolin-4-yl]-NN-dipropylacetamide

SMILES

CCCN(CCC)C(CN(C(N1c2c3cccc2)=C(c2c(C)cccc2)SC1=S)C3=O)=O

InChI

InChI=1S/C25H27N3O2S2/c1-4-14-26(15-5-2)21(29)16-27-23-22(18-11-7-6-10-17(18)3)32-25(31)28(23)20-13-9-8-12-19(20)24(27)30/h6-13H,4-5,14-16H2,1-3H3

InChI Key

QMHDPJBJTXBCQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06402937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.919

Distribution Coefficient, logD

4.919

Water Solubility, LogSw

-4.57

Polar Surface Area

33.972

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C746-0762 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

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

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C746-0762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C746-0762?
Check Price and Availability of C746-0762, 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 C746-0762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C746-0762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C746-0762
  • 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 C746-0762 available by request