G702-4458 Screening compound: ethyl 4-({2-phenyl-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-yl}amino)benzoate

G702-4458 Screening compound: ethyl 4-({2-phenyl-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-yl}amino)benzoate
G702-4458 Screening compound: ethyl 4-({2-phenyl-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G702-4458
ethyl 4-({2-phenyl-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-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

G702-4458

Molecular Formula

C24H23N5O2 (C24 H23 N5 O2)

Compound Name

ethyl 4-({2-phenyl-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-9-yl}amino)benzoate

IUPAC name

ethyl 4-({2-phenyl-5H6H7H8H-[124]triazolo[32-b]quinazolin-9-yl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1Nc1c(CCCC2)c2nc2nc(-c3ccccc3)nn12)=O

InChI

InChI=1S/C24H23N5O2/c1-2-31-23(30)17-12-14-18(15-13-17)25-22-19-10-6-7-11-20(19)26-24-27-21(28-29(22)24)16-8-4-3-5-9-16/h3-5,8-9,12-15,25H,2,6-7,10-11H2,1H3

InChI Key

PLGGFCOALQRXRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27152065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

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

5.538

Distribution Coefficient, logD

5.537

Water Solubility, LogSw

-5.42

Polar Surface Area

62.647

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G702-4458 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G702-4458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G702-4458?
Check Price and Availability of G702-4458, 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 G702-4458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G702-4458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G702-4458
  • 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 G702-4458 available by request