A0061464 Screening compound: 3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

A0061464 Screening compound: 3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
A0061464 Screening compound: 3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0061464
3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-yl)-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

A0061464

Molecular Formula

C22H18N4O4S (C22 H18 N4 O4 S)

Compound Name

3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

3-(25-dimethoxyphenyl)-4-oxo-N-(pyridin-3-yl)-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxamide

SMILES

COc(cc1)cc(N(C(c(ccc(C(Nc2cnccc2)=O)c2)c2N2)=O)C2=S)c1OC

InChI

InChI=1S/C22H18N4O4S/c1-29-15-6-8-19(30-2)18(11-15)26-21(28)16-7-5-13(10-17(16)25-22(26)31)20(27)24-14-4-3-9-23-12-14/h3-12H,1-2H3,(H,24,27)(H,25,31)

InChI Key

BPBIXWFPNCIELS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.935

Distribution Coefficient, logD

2.927

Water Solubility, LogSw

-3.46

Polar Surface Area

74.189

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

A0061464 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with A0061464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0061464?
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What is the minimum amount of A0061464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0061464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0061464
  • 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 A0061464 available by request