G862-0458 Screening compound: ethyl 4-[2-(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyridin-1-yl)acetamido]benzoate

G862-0458 Screening compound: ethyl 4-[2-(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyridin-1-yl)acetamido]benzoate
G862-0458 Screening compound: ethyl 4-[2-(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyridin-1-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G862-0458
ethyl 4-[2-(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyridin-1-yl)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

G862-0458

Molecular Formula

C23H24N4O5S (C23 H24 N4 O5 S)

Compound Name

ethyl 4-[2-(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyridin-1-yl)acetamido]benzoate

IUPAC name

ethyl 4-[2-(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-14-dihydropyridin-1-yl)acetamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(C=C1OC)C(CSc2nc(C)ccn2)=CC1=O)=O)=O

InChI

InChI=1S/C23H24N4O5S/c1-4-32-22(30)16-5-7-17(8-6-16)26-21(29)13-27-12-20(31-3)19(28)11-18(27)14-33-23-24-10-9-15(2)25-23/h5-12H,4,13-14H2,1-3H3,(H,26,29)

InChI Key

HFLIAZMKYOOCAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08341780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.907

Distribution Coefficient, logD

2.907

Water Solubility, LogSw

-3.27

Polar Surface Area

84.509

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with G862-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G862-0458?
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What is the minimum amount of G862-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G862-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G862-0458
  • 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 G862-0458 available by request