A0061713 Screening compound: N-(2,4-dimethoxyphenyl)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

A0061713 Screening compound: N-(2,4-dimethoxyphenyl)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
A0061713 Screening compound: N-(2,4-dimethoxyphenyl)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0061713
N-(2,4-dimethoxyphenyl)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

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

A0061713

Molecular Formula

C22H19N3O5S (C22 H19 N3 O5 S)

Compound Name

N-(2,4-dimethoxyphenyl)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

N-(24-dimethoxyphenyl)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxamide

SMILES

COc(cc1)cc(OC)c1NC(c(cc1)cc(NC(N2Cc3ccco3)=S)c1C2=O)=O

InChI

InChI=1S/C22H19N3O5S/c1-28-14-6-8-17(19(11-14)29-2)23-20(26)13-5-7-16-18(10-13)24-22(31)25(21(16)27)12-15-4-3-9-30-15/h3-11H,12H2,1-2H3,(H,23,26)(H,24,31)

InChI Key

RIJQPZLDLIRTET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05023572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.607

Distribution Coefficient, logD

3.601

Water Solubility, LogSw

-3.97

Polar Surface Area

72.634

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

A0061713 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with A0061713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0061713?
Check Price and Availability of A0061713, 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 A0061713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0061713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0061713
  • 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 A0061713 available by request