D306-0424 Screening compound: 2-{[(6-phenylpyrimidin-4-yl)sulfanyl]methyl}benzonitrile

D306-0424 Screening compound: 2-{[(6-phenylpyrimidin-4-yl)sulfanyl]methyl}benzonitrile
D306-0424 Screening compound: 2-{[(6-phenylpyrimidin-4-yl)sulfanyl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D306-0424
2-{[(6-phenylpyrimidin-4-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

D306-0424

Molecular Formula

C18H13N3S (C18 H13 N3 S)

Compound Name

2-{[(6-phenylpyrimidin-4-yl)sulfanyl]methyl}benzonitrile

IUPAC name

2-{[(6-phenylpyrimidin-4-yl)sulfanyl]methyl}benzonitrile

SMILES

N#Cc1c(CSc2ncnc(-c3ccccc3)c2)cccc1

InChI

InChI=1S/C18H13N3S/c19-11-15-8-4-5-9-16(15)12-22-18-10-17(20-13-21-18)14-6-2-1-3-7-14/h1-10,13H,12H2

InChI Key

FTIGQDYHPYZTPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09982504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.426

Distribution Coefficient, logD

4.425

Water Solubility, LogSw

-4.60

Polar Surface Area

35.922

Acid Dissociation Constant (pKa)

24.25

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

D306-0424 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Eye
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D306-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D306-0424?
Check Price and Availability of D306-0424, 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 D306-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D306-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D306-0424
  • 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 D306-0424 available by request