3637-0483 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

3637-0483 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
3637-0483 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3637-0483
2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

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

3637-0483

Molecular Formula

C16H15ClN2OS (C16 H15 ClN2 OS)

Compound Name

2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

IUPAC name

2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

SMILES

Cc(nc1SCc(cc2)ccc2Cl)cc(COC)c1C#N

InChI

InChI=1S/C16H15ClN2OS/c1-11-7-13(9-20-2)15(8-18)16(19-11)21-10-12-3-5-14(17)6-4-12/h3-7H,9-10H2,1-2H3

InChI Key

YZHLLRXFAPBGJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.646

Distribution Coefficient, logD

3.646

Water Solubility, LogSw

-4.50

Polar Surface Area

34.001

Acid Dissociation Constant (pKa)

25.24

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3637-0483 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 3637-0483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3637-0483?
Check Price and Availability of 3637-0483, 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 3637-0483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3637-0483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3637-0483
  • 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 3637-0483 available by request