D645-0046 Screening compound: 3-(4-methoxyphenyl)-5-{[1,2,4]triazolo[1,5-c]quinazolin-2-yl}-1H-pyrazole

D645-0046 Screening compound: 3-(4-methoxyphenyl)-5-{[1,2,4]triazolo[1,5-c]quinazolin-2-yl}-1H-pyrazole
D645-0046 Screening compound: 3-(4-methoxyphenyl)-5-{[1,2,4]triazolo[1,5-c]quinazolin-2-yl}-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D645-0046
3-(4-methoxyphenyl)-5-{[1,2,4]triazolo[1,5-c]quinazolin-2-yl}-1H-pyrazole

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

D645-0046

Molecular Formula

C19H14N6O (C19 H14 N6 O)

Compound Name

3-(4-methoxyphenyl)-5-{[1,2,4]triazolo[1,5-c]quinazolin-2-yl}-1H-pyrazole

IUPAC name

3-(4-methoxyphenyl)-5-{[124]triazolo[15-c]quinazolin-2-yl}-1H-pyrazole

SMILES

COc(cc1)ccc1-c1n[nH]c(-c2nn(cnc3c4cccc3)c4n2)c1

InChI

InChI=1S/C19H14N6O/c1-26-13-8-6-12(7-9-13)16-10-17(23-22-16)18-21-19-14-4-2-3-5-15(14)20-11-25(19)24-18/h2-11H,1H3,(H,22,23)

InChI Key

OKQITPGCWPOFJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08733649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.710

Distribution Coefficient, logD

3.706

Water Solubility, LogSw

-4.14

Polar Surface Area

59.763

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

D645-0046 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D645-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D645-0046?
Check Price and Availability of D645-0046, 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 D645-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D645-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D645-0046
  • 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 D645-0046 available by request