G856-8125 Screening compound: ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate

G856-8125 Screening compound: ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate
G856-8125 Screening compound: ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-8125
ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]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

G856-8125

Molecular Formula

C16H17N3O4S (C16 H17 N3 O4 S)

Compound Name

ethyl 4-{2-[(6-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[(6-methyl-2-oxo-12-dihydropyrimidin-4-yl)sulfanyl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSC(C=C(C)N1)=NC1=O)=O)=O

InChI

InChI=1S/C16H17N3O4S/c1-3-23-15(21)11-4-6-12(7-5-11)18-13(20)9-24-14-8-10(2)17-16(22)19-14/h4-8H,3,9H2,1-2H3,(H,18,20)(H,17,19,22)

InChI Key

JKAHZNITOWUFML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06749849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.262

Distribution Coefficient, logD

2.198

Water Solubility, LogSw

-2.68

Polar Surface Area

76.982

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G856-8125 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G856-8125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-8125?
Check Price and Availability of G856-8125, 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 G856-8125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-8125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-8125
  • 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 G856-8125 available by request