F462-0295 Screening compound: N-(3-chlorophenyl)-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}acetamide

F462-0295 Screening compound: N-(3-chlorophenyl)-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}acetamide
F462-0295 Screening compound: N-(3-chlorophenyl)-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F462-0295
N-(3-chlorophenyl)-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-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

F462-0295

Molecular Formula

C21H15ClFN5O3 (C21 H15 ClFN5 O3)

Compound Name

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

IUPAC name

N-(3-chlorophenyl)-2-{3-[(4-fluorophenyl)methyl]-24-dioxo-1234-tetrahydropteridin-1-yl}acetamide

SMILES

O=C(CN(c1nccnc1C(N1Cc(cc2)ccc2F)=O)C1=O)Nc1cccc(Cl)c1

InChI

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

InChI Key

KNQHKUQRGAJIMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27130843

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

3.517

Distribution Coefficient, logD

3.517

Water Solubility, LogSw

-3.67

Polar Surface Area

74.656

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

F462-0295 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with F462-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F462-0295?
Check Price and Availability of F462-0295, 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 F462-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F462-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F462-0295
  • 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 F462-0295 available by request