A0061730 Screening compound: 4-oxo-N,3-bis[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

A0061730 Screening compound: 4-oxo-N,3-bis[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
A0061730 Screening compound: 4-oxo-N,3-bis[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0061730
4-oxo-N,3-bis[(oxolan-2-yl)methyl]-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

A0061730

Molecular Formula

C19H23N3O4S (C19 H23 N3 O4 S)

Compound Name

4-oxo-N,3-bis[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

4-oxo-N3-bis[(oxolan-2-yl)methyl]-2-sulfanylidene-1234-tetrahydroquinazoline-7-carboxamide

SMILES

O=C(c(cc1)cc(NC(N2CC3OCCC3)=S)c1C2=O)NCC1OCCC1

InChI

InChI=1S/C19H23N3O4S/c23-17(20-10-13-3-1-7-25-13)12-5-6-15-16(9-12)21-19(27)22(18(15)24)11-14-4-2-8-26-14/h5-6,9,13-14H,1-4,7-8,10-11H2,(H,20,23)(H,21,27)

InChI Key

HEPHONCNKWPYTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.069

Distribution Coefficient, logD

1.067

Water Solubility, LogSw

-2.42

Polar Surface Area

69.040

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.60

A0061730 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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

References: we are preparing a list of scientific research reports with A0061730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0061730?
Check Price and Availability of A0061730, 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 A0061730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0061730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0061730
  • 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 A0061730 available by request