4478-4840 Screening compound: methyl 2-{[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}acetate

4478-4840 Screening compound: methyl 2-{[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}acetate
4478-4840 Screening compound: methyl 2-{[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-4840
methyl 2-{[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-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

4478-4840

Molecular Formula

C22H18N2O3S (C22 H18 N2 O3 S)

Compound Name

methyl 2-{[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}acetate

IUPAC name

methyl 2-{[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}acetate

SMILES

COC(CSc1nc(-c2ccccc2)cc(-c(cc2)ccc2OC)c1C#N)=O

InChI

InChI=1S/C22H18N2O3S/c1-26-17-10-8-15(9-11-17)18-12-20(16-6-4-3-5-7-16)24-22(19(18)13-23)28-14-21(25)27-2/h3-12H,14H2,1-2H3

InChI Key

UUHRDNJNUGSKER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00486897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.204

Distribution Coefficient, logD

5.204

Water Solubility, LogSw

-5.13

Polar Surface Area

53.621

Acid Dissociation Constant (pKa)

20.57

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

4478-4840 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 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 4478-4840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-4840?
Check Price and Availability of 4478-4840, 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 4478-4840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-4840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-4840
  • 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 4478-4840 available by request