3637-0484 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

3637-0484 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
3637-0484 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3637-0484
2-{[(2-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

3637-0484

Molecular Formula

C16H15ClN2OS (C16 H15 ClN2 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(nc1SCc(cccc2)c2Cl)cc(COC)c1C#N

InChI

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

InChI Key

JUARRWFVEOZPCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541060

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

3.988

Distribution Coefficient, logD

3.988

Water Solubility, LogSw

-4.48

Polar Surface Area

34.001

Acid Dissociation Constant (pKa)

25.71

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3637-0484 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3637-0484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3637-0484?
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What is the minimum amount of 3637-0484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3637-0484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3637-0484
  • 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 3637-0484 available by request