A0060921 Screening compound: 3-(2,5-dimethoxyphenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

A0060921 Screening compound: 3-(2,5-dimethoxyphenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
A0060921 Screening compound: 3-(2,5-dimethoxyphenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound A0060921
3-(2,5-dimethoxyphenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

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

A0060921

Molecular Formula

C27H26N4O4S (C27 H26 N4 O4 S)

Compound Name

3-(2,5-dimethoxyphenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

3-(25-dimethoxyphenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

COc(cc1)cc(N(C(c(ccc(C(N(CC2)CCN2c2ccccc2)=O)c2)c2N2)=O)C2=S)c1OC

InChI

InChI=1S/C27H26N4O4S/c1-34-20-9-11-24(35-2)23(17-20)31-26(33)21-10-8-18(16-22(21)28-27(31)36)25(32)30-14-12-29(13-15-30)19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H,28,36)

InChI Key

MWUIZPJUXMRMMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.644

Distribution Coefficient, logD

3.643

Water Solubility, LogSw

-3.99

Polar Surface Area

61.488

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

A0060921 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with A0060921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0060921?
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What is the minimum amount of A0060921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0060921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0060921
  • 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 A0060921 available by request