F521-0258 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-bromophenyl)methyl]-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione

F521-0258 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-bromophenyl)methyl]-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione
F521-0258 Screening compound: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-bromophenyl)methyl]-1H,2H,3H,4H-pyrido[3,2-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F521-0258
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-bromophenyl)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

F521-0258

Molecular Formula

C22H16BrN3O4 (C22 H16 BrN3 O4)

Compound Name

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

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-1-[(4-bromophenyl)methyl]-1H2H3H4H-pyrido[32-d]pyrimidine-24-dione

SMILES

O=C(c(nccc1)c1N1Cc(cc2)ccc2Br)N(Cc(cc2)cc3c2OCO3)C1=O

InChI

InChI=1S/C22H16BrN3O4/c23-16-6-3-14(4-7-16)11-25-17-2-1-9-24-20(17)21(27)26(22(25)28)12-15-5-8-18-19(10-15)30-13-29-18/h1-10H,11-13H2

InChI Key

HKRLUICQYJOWSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.29

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

4.301

Distribution Coefficient, logD

4.301

Water Solubility, LogSw

-4.48

Polar Surface Area

58.291

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

F521-0258 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F521-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F521-0258?
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What is the minimum amount of F521-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F521-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F521-0258
  • 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 F521-0258 available by request