F462-0504 Screening compound: 2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

F462-0504 Screening compound: 2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
F462-0504 Screening compound: 2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F462-0504
2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

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

F462-0504

Molecular Formula

C23H18ClN5O5 (C23 H18 ClN5 O5)

Compound Name

2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

IUPAC name

2-{3-[(2-chlorophenyl)methyl]-24-dioxo-1234-tetrahydropteridin-1-yl}-N-(23-dihydro-14-benzodioxin-6-yl)acetamide

SMILES

O=C(CN(c1c(C(N2Cc(cccc3)c3Cl)=O)nccn1)C2=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C23H18ClN5O5/c24-16-4-2-1-3-14(16)12-29-22(31)20-21(26-8-7-25-20)28(23(29)32)13-19(30)27-15-5-6-17-18(11-15)34-10-9-33-17/h1-8,11H,9-10,12-13H2,(H,27,30)

InChI Key

XPMPIQLEHVNYGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11995836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.88

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.191

Distribution Coefficient, logD

2.191

Water Solubility, LogSw

-3.08

Polar Surface Area

90.479

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

F462-0504 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F462-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F462-0504?
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What is the minimum amount of F462-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F462-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F462-0504
  • 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 F462-0504 available by request