A0062796 Screening compound: 3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid

A0062796 Screening compound: 3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
A0062796 Screening compound: 3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062796
3-(2,5-dimethoxyphenyl)-4-oxo-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

A0062796

Molecular Formula

C17H14N2O5S (C17 H14 N2 O5 S)

Compound Name

3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid

IUPAC name

3-(25-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxylic acid

SMILES

COc(cc1)cc(N(C(c(ccc(C(O)=O)c2)c2N2)=O)C2=S)c1OC

InChI

InChI=1S/C17H14N2O5S/c1-23-10-4-6-14(24-2)13(8-10)19-15(20)11-5-3-9(16(21)22)7-12(11)18-17(19)25/h3-8H,1-2H3,(H,18,25)(H,21,22)

InChI Key

OTVZAJUDLQAVCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

-0.099

Water Solubility, LogSw

-3.56

Polar Surface Area

69.988

Acid Dissociation Constant (pKa)

4.30

Base Dissociation Constant (pKb)

-8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with A0062796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062796?
Check Price and Availability of A0062796, 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 A0062796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062796
  • 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 A0062796 available by request