4478-4797 Screening compound: methyl 2-{[3-cyano-6-phenyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetate

4478-4797 Screening compound: methyl 2-{[3-cyano-6-phenyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetate
4478-4797 Screening compound: methyl 2-{[3-cyano-6-phenyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-4797
methyl 2-{[3-cyano-6-phenyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetate

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

4478-4797

Molecular Formula

C19H14N2O2S2 (C19 H14 N2 O2 S2)

Compound Name

methyl 2-{[3-cyano-6-phenyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetate

IUPAC name

methyl 2-{[3-cyano-6-phenyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetate

SMILES

COC(CSc1nc(-c2ccccc2)cc(-c2cccs2)c1C#N)=O

InChI

InChI=1S/C19H14N2O2S2/c1-23-18(22)12-25-19-15(11-20)14(17-8-5-9-24-17)10-16(21-19)13-6-3-2-4-7-13/h2-10H,12H2,1H3

InChI Key

WFTFWNRHDCGONM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02025097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.933

Distribution Coefficient, logD

4.933

Water Solubility, LogSw

-4.82

Polar Surface Area

47.096

Acid Dissociation Constant (pKa)

20.57

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

4478-4797 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4478-4797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-4797?
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What is the minimum amount of 4478-4797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-4797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-4797
  • 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 4478-4797 available by request