A0061173 Screening compound: 3-[(4-methoxyphenyl)methyl]-7-(morpholine-4-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

A0061173 Screening compound: 3-[(4-methoxyphenyl)methyl]-7-(morpholine-4-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
A0061173 Screening compound: 3-[(4-methoxyphenyl)methyl]-7-(morpholine-4-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound A0061173
3-[(4-methoxyphenyl)methyl]-7-(morpholine-4-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

A0061173

Molecular Formula

C21H21N3O4S (C21 H21 N3 O4 S)

Compound Name

3-[(4-methoxyphenyl)methyl]-7-(morpholine-4-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

3-[(4-methoxyphenyl)methyl]-7-(morpholine-4-carbonyl)-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

COc1ccc(CN(C(c(ccc(C(N2CCOCC2)=O)c2)c2N2)=O)C2=S)cc1

InChI

InChI=1S/C21H21N3O4S/c1-27-16-5-2-14(3-6-16)13-24-20(26)17-7-4-15(12-18(17)22-21(24)29)19(25)23-8-10-28-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,29)

InChI Key

QJIYTPMCZLSUTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03722033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.231

Distribution Coefficient, logD

2.231

Water Solubility, LogSw

-3.15

Polar Surface Area

59.419

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

A0061173 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with A0061173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0061173?
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What is the minimum amount of A0061173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0061173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0061173
  • 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 A0061173 available by request