A0015656 Screening compound: 3-benzyl-2-[(cyanomethyl)sulfanyl]-N-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

A0015656 Screening compound: 3-benzyl-2-[(cyanomethyl)sulfanyl]-N-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
A0015656 Screening compound: 3-benzyl-2-[(cyanomethyl)sulfanyl]-N-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015656
3-benzyl-2-[(cyanomethyl)sulfanyl]-N-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazoline-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

A0015656

Molecular Formula

C26H22N4O2S (C26 H22 N4 O2 S)

Compound Name

3-benzyl-2-[(cyanomethyl)sulfanyl]-N-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

3-benzyl-2-[(cyanomethyl)sulfanyl]-N-(35-dimethylphenyl)-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

Cc1cc(NC(c(cc2)cc(N=C(N3Cc4ccccc4)SCC#N)c2C3=O)=O)cc(C)c1

InChI

InChI=1S/C26H22N4O2S/c1-17-12-18(2)14-21(13-17)28-24(31)20-8-9-22-23(15-20)29-26(33-11-10-27)30(25(22)32)16-19-6-4-3-5-7-19/h3-9,12-15H,11,16H2,1-2H3,(H,28,31)

InChI Key

RHMHOAZREVCEDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.599

Distribution Coefficient, logD

4.599

Water Solubility, LogSw

-4.35

Polar Surface Area

66.626

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

A0015656 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with A0015656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015656?
Check Price and Availability of A0015656, 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 A0015656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015656
  • 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 A0015656 available by request