C202-3694 Screening compound: 9-phenyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazoline

C202-3694 Screening compound: 9-phenyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazoline
C202-3694 Screening compound: 9-phenyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-3694
9-phenyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazoline

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

C202-3694

Molecular Formula

C15H16N4 (C15 H16 N4)

Compound Name

9-phenyl-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazoline

IUPAC name

9-phenyl-4H5H6H7H8H9H-[124]triazolo[32-b]quinazoline

SMILES

C(CC1)CC2=C1Nc1ncnn1C2c1ccccc1

InChI

InChI=1S/C15H16N4/c1-2-6-11(7-3-1)14-12-8-4-5-9-13(12)18-15-16-10-17-19(14)15/h1-3,6-7,10,14H,4-5,8-9H2,(H,16,17,18)

InChI Key

XHKLBOSRVAECEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01627096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.924

Distribution Coefficient, logD

2.924

Water Solubility, LogSw

-3.13

Polar Surface Area

38.309

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

C202-3694 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C202-3694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-3694?
Check Price and Availability of C202-3694, 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 C202-3694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-3694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-3694
  • 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 C202-3694 available by request