G856-8463 Screening compound: ethyl 4-{2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate

G856-8463 Screening compound: ethyl 4-{2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
G856-8463 Screening compound: ethyl 4-{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 G856-8463
ethyl 4-{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

G856-8463

Molecular Formula

C19H21N5O5S (C19 H21 N5 O5 S)

Compound Name

ethyl 4-{2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[(139-trimethyl-26-dioxo-2369-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc(n1C)nc(C(N2C)=O)c1N(C)C2=O)=O)=O

InChI

InChI=1S/C19H21N5O5S/c1-5-29-17(27)11-6-8-12(9-7-11)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

FHRVEKQYOPMQPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07193417

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

2.684

Distribution Coefficient, logD

2.684

Water Solubility, LogSw

-3.03

Polar Surface Area

87.943

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G856-8463 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G856-8463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-8463?
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What is the minimum amount of G856-8463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-8463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-8463
  • 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 G856-8463 available by request