F521-0433 Screening compound: 3-[(4-chlorophenyl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione

F521-0433 Screening compound: 3-[(4-chlorophenyl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione
F521-0433 Screening compound: 3-[(4-chlorophenyl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F521-0433
3-[(4-chlorophenyl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-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

F521-0433

Molecular Formula

C22H15ClF3N3O2 (C22 H15 ClF3 N3 O2)

Compound Name

3-[(4-chlorophenyl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione

IUPAC name

3-[(4-chlorophenyl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1H2H3H4H-pyrido[32-d]pyrimidine-24-dione

SMILES

O=C(c(nccc1)c1N1Cc2cc(C(F)(F)F)ccc2)N(Cc(cc2)ccc2Cl)C1=O

InChI

InChI=1S/C22H15ClF3N3O2/c23-17-8-6-14(7-9-17)12-29-20(30)19-18(5-2-10-27-19)28(21(29)31)13-15-3-1-4-16(11-15)22(24,25)26/h1-11H,12-13H2

InChI Key

BXDZKAPHPDLMMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.947

Distribution Coefficient, logD

4.947

Water Solubility, LogSw

-5.24

Polar Surface Area

41.176

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

F521-0433 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F521-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F521-0433?
Check Price and Availability of F521-0433, 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 F521-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F521-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F521-0433
  • 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 F521-0433 available by request