F366-0209 Screening compound: 2-[(2-chloro-4-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

F366-0209 Screening compound: 2-[(2-chloro-4-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
F366-0209 Screening compound: 2-[(2-chloro-4-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F366-0209
2-[(2-chloro-4-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

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

F366-0209

Molecular Formula

C24H18ClFN4O2 (C24 H18 ClFN4 O2)

Compound Name

2-[(2-chloro-4-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

IUPAC name

2-[(2-chloro-4-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]-1H2H4H5H-[124]triazolo[43-a]quinazoline-15-dione

SMILES

Cc1ccc(CN(C(N2c3c4cccc3)=NN(Cc(ccc(F)c3)c3Cl)C2=O)C4=O)cc1

InChI

InChI=1S/C24H18ClFN4O2/c1-15-6-8-16(9-7-15)13-28-22(31)19-4-2-3-5-21(19)30-23(28)27-29(24(30)32)14-17-10-11-18(26)12-20(17)25/h2-12H,13-14H2,1H3

InChI Key

BTSGCGLKHFQWLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27119656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.306

Distribution Coefficient, logD

5.306

Water Solubility, LogSw

-5.73

Polar Surface Area

47.935

Acid Dissociation Constant (pKa)

23.35

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

F366-0209 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F366-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F366-0209?
Check Price and Availability of F366-0209, 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 F366-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F366-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F366-0209
  • 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 F366-0209 available by request