F810-0094 Screening compound: 2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-c]quinazolin-3-one

F810-0094 Screening compound: 2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-c]quinazolin-3-one
F810-0094 Screening compound: 2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-c]quinazolin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F810-0094
2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-c]quinazolin-3-one

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

F810-0094

Molecular Formula

C21H19FN6O2 (C21 H19 FN6 O2)

Compound Name

2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2H,3H-[1,2,4]triazolo[4,3-c]quinazolin-3-one

IUPAC name

2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2H3H-[124]triazolo[43-c]quinazolin-3-one

SMILES

O=C(CN1N=C(c(cccc2)c2N=C2)N2C1=O)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C21H19FN6O2/c22-16-6-2-4-8-18(16)25-9-11-26(12-10-25)19(29)13-28-21(30)27-14-23-17-7-3-1-5-15(17)20(27)24-28/h1-8,14H,9-13H2

InChI Key

JRCUAMHLFIONNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27192962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.778

Distribution Coefficient, logD

1.777

Water Solubility, LogSw

-2.61

Polar Surface Area

61.039

Acid Dissociation Constant (pKa)

19.28

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F810-0094 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F810-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F810-0094?
Check Price and Availability of F810-0094, 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 F810-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F810-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F810-0094
  • 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 F810-0094 available by request