F462-0944 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-[2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydropteridin-1-yl]acetamide

F462-0944 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-[2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydropteridin-1-yl]acetamide
F462-0944 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-[2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydropteridin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F462-0944
N-[2-(4-chlorophenyl)ethyl]-2-[2,4-dioxo-3-(2-phenylethyl)-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

F462-0944

Molecular Formula

C24H22ClN5O3 (C24 H22 ClN5 O3)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-2-[2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydropteridin-1-yl]acetamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-[24-dioxo-3-(2-phenylethyl)-1234-tetrahydropteridin-1-yl]acetamide

SMILES

O=C(CN(c1nccnc1C(N1CCc2ccccc2)=O)C1=O)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C24H22ClN5O3/c25-19-8-6-18(7-9-19)10-12-26-20(31)16-30-22-21(27-13-14-28-22)23(32)29(24(30)33)15-11-17-4-2-1-3-5-17/h1-9,13-14H,10-12,15-16H2,(H,26,31)

InChI Key

CBJKGIATDRASQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27131027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.836

Distribution Coefficient, logD

2.836

Water Solubility, LogSw

-3.42

Polar Surface Area

75.798

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

F462-0944 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F462-0944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F462-0944?
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What is the minimum amount of F462-0944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F462-0944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F462-0944
  • 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 F462-0944 available by request