D645-0048 Screening compound: 2-(3-methoxyphenyl)[1,2,4]triazolo[1,5-c]quinazoline

D645-0048 Screening compound: 2-(3-methoxyphenyl)[1,2,4]triazolo[1,5-c]quinazoline
D645-0048 Screening compound: 2-(3-methoxyphenyl)[1,2,4]triazolo[1,5-c]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound D645-0048
2-(3-methoxyphenyl)[1,2,4]triazolo[1,5-c]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

D645-0048

Molecular Formula

C16H12N4O (C16 H12 N4 O)

Compound Name

2-(3-methoxyphenyl)[1,2,4]triazolo[1,5-c]quinazoline

IUPAC name

2-(3-methoxyphenyl)-[124]triazolo[15-c]quinazoline

SMILES

COc1cc(-c2nn(cnc3c4cccc3)c4n2)ccc1

InChI

InChI=1S/C16H12N4O/c1-21-12-6-4-5-11(9-12)15-18-16-13-7-2-3-8-14(13)17-10-20(16)19-15/h2-10H,1H3

InChI Key

OYEUUTAMZQGXLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.283

Distribution Coefficient, logD

2.963

Water Solubility, LogSw

-3.48

Polar Surface Area

37.273

Acid Dissociation Constant (pKa)

32.43

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

D645-0048 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D645-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D645-0048?
Check Price and Availability of D645-0048, 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 D645-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D645-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D645-0048
  • 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 D645-0048 available by request