A0062795 Screening compound: 4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid

A0062795 Screening compound: 4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
A0062795 Screening compound: 4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062795
4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid

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

A0062795

Molecular Formula

C12H10N2O3S (C12 H10 N2 O3 S)

Compound Name

4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid

IUPAC name

4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxylic acid

SMILES

C=CCN(C(c(ccc(C(O)=O)c1)c1N1)=O)C1=S

InChI

InChI=1S/C12H10N2O3S/c1-2-5-14-10(15)8-4-3-7(11(16)17)6-9(8)13-12(14)18/h2-4,6H,1,5H2,(H,13,18)(H,16,17)

InChI Key

IQUIBCXRPSGZSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.286

Distribution Coefficient, logD

-0.816

Water Solubility, LogSw

-3.04

Polar Surface Area

55.976

Acid Dissociation Constant (pKa)

4.30

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

A0062795 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with A0062795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062795?
Check Price and Availability of A0062795, 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 A0062795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062795
  • 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 A0062795 available by request