G862-0818 Screening compound: ethyl 4-{2-[(5-methoxy-2-{[(4-methylphenyl)sulfanyl]methyl}pyridin-4-yl)oxy]acetamido}benzoate

G862-0818 Screening compound: ethyl 4-{2-[(5-methoxy-2-{[(4-methylphenyl)sulfanyl]methyl}pyridin-4-yl)oxy]acetamido}benzoate
G862-0818 Screening compound: ethyl 4-{2-[(5-methoxy-2-{[(4-methylphenyl)sulfanyl]methyl}pyridin-4-yl)oxy]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G862-0818
ethyl 4-{2-[(5-methoxy-2-{[(4-methylphenyl)sulfanyl]methyl}pyridin-4-yl)oxy]acetamido}benzoate

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

G862-0818

Molecular Formula

C25H26N2O5S (C25 H26 N2 O5 S)

Compound Name

ethyl 4-{2-[(5-methoxy-2-{[(4-methylphenyl)sulfanyl]methyl}pyridin-4-yl)oxy]acetamido}benzoate

IUPAC name

ethyl 4-{2-[(5-methoxy-2-{[(4-methylphenyl)sulfanyl]methyl}pyridin-4-yl)oxy]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(COc1cc(CSc2ccc(C)cc2)ncc1OC)=O)=O

InChI

InChI=1S/C25H26N2O5S/c1-4-31-25(29)18-7-9-19(10-8-18)27-24(28)15-32-22-13-20(26-14-23(22)30-3)16-33-21-11-5-17(2)6-12-21/h5-14H,4,15-16H2,1-3H3,(H,27,28)

InChI Key

RWRRKCDEDCMFLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.051

Distribution Coefficient, logD

5.051

Water Solubility, LogSw

-4.53

Polar Surface Area

68.447

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

G862-0818 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G862-0818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G862-0818?
Check Price and Availability of G862-0818, 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 G862-0818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G862-0818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G862-0818
  • 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 G862-0818 available by request