8226-0040 Screening compound: 3-(4-fluorophenyl)-5-{[1,2,4]triazolo[1,5-c]quinazolin-2-yl}-1H-pyrazole

8226-0040 Screening compound: 3-(4-fluorophenyl)-5-{[1,2,4]triazolo[1,5-c]quinazolin-2-yl}-1H-pyrazole
8226-0040 Screening compound: 3-(4-fluorophenyl)-5-{[1,2,4]triazolo[1,5-c]quinazolin-2-yl}-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8226-0040
3-(4-fluorophenyl)-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

8226-0040

Molecular Formula

C18H11FN6 (C18 H11 FN6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H11FN6/c19-12-7-5-11(6-8-12)15-9-16(23-22-15)17-21-18-13-3-1-2-4-14(13)20-10-25(18)24-17/h1-10H,(H,22,23)

InChI Key

UTPLUJWRYVVXRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06753181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.757

Distribution Coefficient, logD

3.752

Water Solubility, LogSw

-4.35

Polar Surface Area

52.219

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8226-0040 in Drug Discovery

Included in Screening Libraries

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

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 8226-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8226-0040?
Check Price and Availability of 8226-0040, 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 8226-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8226-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8226-0040
  • 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 8226-0040 available by request