A0061181 Screening compound: 3-(4-methoxyphenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

A0061181 Screening compound: 3-(4-methoxyphenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
A0061181 Screening compound: 3-(4-methoxyphenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound A0061181
3-(4-methoxyphenyl)-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

A0061181

Molecular Formula

C26H24N4O3S (C26 H24 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(C(c(ccc(C(N(CC1)CCN1c1ccccc1)=O)c1)c1N1)=O)C1=S

InChI

InChI=1S/C26H24N4O3S/c1-33-21-10-8-20(9-11-21)30-25(32)22-12-7-18(17-23(22)27-26(30)34)24(31)29-15-13-28(14-16-29)19-5-3-2-4-6-19/h2-12,17H,13-16H2,1H3,(H,27,34)

InChI Key

OZZHSIIRWHJSEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.433

Distribution Coefficient, logD

3.431

Water Solubility, LogSw

-3.87

Polar Surface Area

54.159

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

A0061181 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Dark Chemical Matter Library (18430 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
Structure:
  • Pool

References: we are preparing a list of scientific research reports with A0061181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0061181?
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What is the minimum amount of A0061181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0061181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0061181
  • 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 A0061181 available by request