G856-8464 Screening compound: ethyl 2-{2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate

G856-8464 Screening compound: ethyl 2-{2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
G856-8464 Screening compound: ethyl 2-{2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-8464
ethyl 2-{2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-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

G856-8464

Molecular Formula

C19H21N5O5S (C19 H21 N5 O5 S)

Compound Name

ethyl 2-{2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate

IUPAC name

ethyl 2-{2-[(139-trimethyl-26-dioxo-2369-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CSc(n1C)nc(C(N2C)=O)c1N(C)C2=O)=O)=O

InChI

InChI=1S/C19H21N5O5S/c1-5-29-17(27)11-8-6-7-9-12(11)20-13(25)10-30-18-21-14-15(22(18)2)23(3)19(28)24(4)16(14)26/h6-9H,5,10H2,1-4H3,(H,20,25)

InChI Key

XPKQZJHTGBPHCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07646505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.351

Distribution Coefficient, logD

2.338

Water Solubility, LogSw

-2.99

Polar Surface Area

87.245

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G856-8464 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleoside Mimetics Library (2197 compounds)

Targeted Diversity Library (40567 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G856-8464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-8464?
Check Price and Availability of G856-8464, 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 G856-8464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-8464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-8464
  • 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 G856-8464 available by request