F521-0238 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione

F521-0238 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione
F521-0238 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)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 F521-0238
3-[(2H-1,3-benzodioxol-5-yl)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

F521-0238

Molecular Formula

C23H16F3N3O4 (C23 H16 F3 N3 O4)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1H2H3H4H-pyrido[32-d]pyrimidine-24-dione

SMILES

O=C(c(nccc1)c1N1Cc2cccc(C(F)(F)F)c2)N(Cc(cc2)cc3c2OCO3)C1=O

InChI

InChI=1S/C23H16F3N3O4/c24-23(25,26)16-4-1-3-14(9-16)11-28-17-5-2-8-27-20(17)21(30)29(22(28)31)12-15-6-7-18-19(10-15)33-13-32-18/h1-10H,11-13H2

InChI Key

GFHNZZHLTYYJNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.224

Water Solubility, LogSw

-4.50

Polar Surface Area

58.291

Acid Dissociation Constant (pKa)

28.10

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

F521-0238 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F521-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F521-0238?
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What is the minimum amount of F521-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F521-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F521-0238
  • 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 F521-0238 available by request