C724-0050 Screening compound: 4-[({3-benzyl-4-oxo-3H,4H-pyrido[2,3-d]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile

C724-0050 Screening compound: 4-[({3-benzyl-4-oxo-3H,4H-pyrido[2,3-d]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile
C724-0050 Screening compound: 4-[({3-benzyl-4-oxo-3H,4H-pyrido[2,3-d]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C724-0050
4-[({3-benzyl-4-oxo-3H,4H-pyrido[2,3-d]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile

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

C724-0050

Molecular Formula

C22H16N4OS (C22 H16 N4 OS)

Compound Name

4-[({3-benzyl-4-oxo-3H,4H-pyrido[2,3-d]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile

IUPAC name

4-[({3-benzyl-4-oxo-3H4H-pyrido[23-d]pyrimidin-2-yl}sulfanyl)methyl]benzonitrile

SMILES

N#Cc1ccc(CSC(N2Cc3ccccc3)=Nc3ncccc3C2=O)cc1

InChI

InChI=1S/C22H16N4OS/c23-13-16-8-10-18(11-9-16)15-28-22-25-20-19(7-4-12-24-20)21(27)26(22)14-17-5-2-1-3-6-17/h1-12H,14-15H2

InChI Key

RMUVAWHBINTSRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.762

Distribution Coefficient, logD

3.762

Water Solubility, LogSw

-4.15

Polar Surface Area

52.451

Acid Dissociation Constant (pKa)

29.81

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

C724-0050 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C724-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C724-0050?
Check Price and Availability of C724-0050, 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 C724-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C724-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C724-0050
  • 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 C724-0050 available by request