F462-0059 Screening compound: 2-(3-benzyl-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

F462-0059 Screening compound: 2-(3-benzyl-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
F462-0059 Screening compound: 2-(3-benzyl-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F462-0059
2-(3-benzyl-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]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

F462-0059

Molecular Formula

C22H15ClF3N5O3 (C22 H15 ClF3 N5 O3)

Compound Name

2-(3-benzyl-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-(3-benzyl-24-dioxo-1234-tetrahydropteridin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CN(c1nccnc1C(N1Cc2ccccc2)=O)C1=O)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C22H15ClF3N5O3/c23-15-7-6-14(22(24,25)26)10-16(15)29-17(32)12-30-19-18(27-8-9-28-19)20(33)31(21(30)34)11-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,29,32)

InChI Key

URWNLPYAGVMHDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27130797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.959

Distribution Coefficient, logD

3.933

Water Solubility, LogSw

-4.45

Polar Surface Area

73.958

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

F462-0059 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F462-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F462-0059?
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What is the minimum amount of F462-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F462-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F462-0059
  • 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 F462-0059 available by request