A0061506 Screening compound: 1-[3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl]piperidine-4-carboxamide

A0061506 Screening compound: 1-[3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl]piperidine-4-carboxamide
A0061506 Screening compound: 1-[3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0061506
1-[3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl]piperidine-4-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

A0061506

Molecular Formula

C23H24N4O5S (C23 H24 N4 O5 S)

Compound Name

1-[3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl]piperidine-4-carboxamide

IUPAC name

1-[3-(25-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1234-tetrahydroquinazoline-7-carbonyl]piperidine-4-carboxamide

SMILES

COc(cc1)cc(N(C(c(ccc(C(N(CC2)CCC2C(N)=O)=O)c2)c2N2)=O)C2=S)c1OC

InChI

InChI=1S/C23H24N4O5S/c1-31-15-4-6-19(32-2)18(12-15)27-22(30)16-5-3-14(11-17(16)25-23(27)33)21(29)26-9-7-13(8-10-26)20(24)28/h3-6,11-13H,7-10H2,1-2H3,(H2,24,28)(H,25,33)

InChI Key

RQZFTEAFJAKVDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05023571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.388

Distribution Coefficient, logD

1.388

Water Solubility, LogSw

-2.46

Polar Surface Area

92.287

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

A0061506 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with A0061506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0061506?
Check Price and Availability of A0061506, 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 A0061506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0061506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0061506
  • 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 A0061506 available by request