G431-0350 Screening compound: ethyl 4-({5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzoate

G431-0350 Screening compound: ethyl 4-({5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzoate
G431-0350 Screening compound: ethyl 4-({5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G431-0350
ethyl 4-({5-methyl-2-phenyl-[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

G431-0350

Molecular Formula

C21H19N5O2 (C21 H19 N5 O2)

Compound Name

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

IUPAC name

ethyl 4-({5-methyl-2-phenyl-[124]triazolo[15-a]pyrimidin-7-yl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1Nc1cc(C)nc2nc(-c3ccccc3)nn12)=O

InChI

InChI=1S/C21H19N5O2/c1-3-28-20(27)16-9-11-17(12-10-16)23-18-13-14(2)22-21-24-19(25-26(18)21)15-7-5-4-6-8-15/h4-13,23H,3H2,1-2H3

InChI Key

XGXAOSJKNLZTJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15013749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.632

Distribution Coefficient, logD

4.617

Water Solubility, LogSw

-4.35

Polar Surface Area

60.594

Acid Dissociation Constant (pKa)

15.58

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G431-0350 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G431-0350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G431-0350?
Check Price and Availability of G431-0350, 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 G431-0350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G431-0350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G431-0350
  • 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 G431-0350 available by request