G856-6694 Screening compound: ethyl 2-[2-({5-methyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)acetamido]benzoate

G856-6694 Screening compound: ethyl 2-[2-({5-methyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)acetamido]benzoate
G856-6694 Screening compound: ethyl 2-[2-({5-methyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6694
ethyl 2-[2-({5-methyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-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

G856-6694

Molecular Formula

C17H17N5O4S (C17 H17 N5 O4 S)

Compound Name

ethyl 2-[2-({5-methyl-7-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl}sulfanyl)acetamido]benzoate

IUPAC name

ethyl 2-[2-({5-methyl-7-oxo-7H8H-[124]triazolo[43-a]pyrimidin-3-yl}sulfanyl)acetamido]benzoate

SMILES

CCOC(c(cccc1)c1NC(CSc1nnc(N2)n1C(C)=CC2=O)=O)=O

InChI

InChI=1S/C17H17N5O4S/c1-3-26-15(25)11-6-4-5-7-12(11)18-14(24)9-27-17-21-20-16-19-13(23)8-10(2)22(16)17/h4-8H,3,9H2,1-2H3,(H,18,24)(H,19,20,23)

InChI Key

GDEYDUYTCORYFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06713982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.539

Distribution Coefficient, logD

1.523

Water Solubility, LogSw

-2.60

Polar Surface Area

94.902

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

G856-6694 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

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 G856-6694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6694?
Check Price and Availability of G856-6694, 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 G856-6694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6694
  • 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 G856-6694 available by request