G431-0064 Screening compound: ethyl 2-{[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzoate

G431-0064 Screening compound: ethyl 2-{[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzoate
G431-0064 Screening compound: ethyl 2-{[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G431-0064
ethyl 2-{[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}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

G431-0064

Molecular Formula

C19H17N5O3 (C19 H17 N5 O3)

Compound Name

ethyl 2-{[2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzoate

IUPAC name

ethyl 2-{[2-(furan-2-yl)-5-methyl-[124]triazolo[15-a]pyrimidin-7-yl]amino}benzoate

SMILES

CCOC(c(cccc1)c1Nc1cc(C)nc2nc(-c3ccco3)nn12)=O

InChI

InChI=1S/C19H17N5O3/c1-3-26-18(25)13-7-4-5-8-14(13)21-16-11-12(2)20-19-22-17(23-24(16)19)15-9-6-10-27-15/h4-11,21H,3H2,1-2H3

InChI Key

NWUIYRYZSPYHOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15013677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.627

Distribution Coefficient, logD

3.622

Water Solubility, LogSw

-3.77

Polar Surface Area

68.474

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

G431-0064 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

C-Met Library (15277 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G431-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G431-0064?
Check Price and Availability of G431-0064, 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 G431-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G431-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G431-0064
  • 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 G431-0064 available by request