A0061033 Screening compound: 3-[(furan-2-yl)methyl]-7-(morpholine-4-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

A0061033 Screening compound: 3-[(furan-2-yl)methyl]-7-(morpholine-4-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
A0061033 Screening compound: 3-[(furan-2-yl)methyl]-7-(morpholine-4-carbonyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound A0061033
3-[(furan-2-yl)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

A0061033

Molecular Formula

C18H17N3O4S (C18 H17 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(NC(N2Cc3ccco3)=S)c1C2=O)N1CCOCC1

InChI

InChI=1S/C18H17N3O4S/c22-16(20-5-8-24-9-6-20)12-3-4-14-15(10-12)19-18(26)21(17(14)23)11-13-2-1-7-25-13/h1-4,7,10H,5-6,8-9,11H2,(H,19,26)

InChI Key

IOJKWLUCECNLKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.502

Distribution Coefficient, logD

1.502

Water Solubility, LogSw

-2.56

Polar Surface Area

59.624

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

A0061033 in Drug Discovery

Included in Screening Libraries

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

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 A0061033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0061033?
Check Price and Availability of A0061033, 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 A0061033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0061033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0061033
  • 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 A0061033 available by request