F521-0231 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione

F521-0231 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione
F521-0231 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F521-0231
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-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

F521-0231

Molecular Formula

C22H17N3O4 (C22 H17 N3 O4)

Compound Name

3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione

IUPAC name

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

SMILES

O=C(c(nccc1)c1N1Cc2ccccc2)N(Cc(cc2)cc3c2OCO3)C1=O

InChI

InChI=1S/C22H17N3O4/c26-21-20-17(7-4-10-23-20)24(12-15-5-2-1-3-6-15)22(27)25(21)13-16-8-9-18-19(11-16)29-14-28-18/h1-11H,12-14H2

InChI Key

WYGRVNFMHILSJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.467

Distribution Coefficient, logD

3.467

Water Solubility, LogSw

-3.64

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

13.60

F521-0231 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 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 F521-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F521-0231?
Check Price and Availability of F521-0231, 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 F521-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F521-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F521-0231
  • 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 F521-0231 available by request