F462-0495 Screening compound: 2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-(2-fluorophenyl)acetamide

F462-0495 Screening compound: 2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-(2-fluorophenyl)acetamide
F462-0495 Screening compound: 2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-(2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F462-0495
2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-(2-fluorophenyl)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

F462-0495

Molecular Formula

C21H15ClFN5O3 (C21 H15 ClFN5 O3)

Compound Name

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

IUPAC name

2-{3-[(2-chlorophenyl)methyl]-24-dioxo-1234-tetrahydropteridin-1-yl}-N-(2-fluorophenyl)acetamide

SMILES

O=C(CN(c1c(C(N2Cc(cccc3)c3Cl)=O)nccn1)C2=O)Nc(cccc1)c1F

InChI

InChI=1S/C21H15ClFN5O3/c22-14-6-2-1-5-13(14)11-28-20(30)18-19(25-10-9-24-18)27(21(28)31)12-17(29)26-16-8-4-3-7-15(16)23/h1-10H,11-12H2,(H,26,29)

InChI Key

KMWPHDPKHZJBPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27130879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.998

Distribution Coefficient, logD

2.998

Water Solubility, LogSw

-3.36

Polar Surface Area

73.958

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with F462-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F462-0495?
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What is the minimum amount of F462-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F462-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F462-0495
  • 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 F462-0495 available by request