F462-0521 Screening compound: 2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-(3,4-difluorophenyl)acetamide

F462-0521 Screening compound: 2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-(3,4-difluorophenyl)acetamide
F462-0521 Screening compound: 2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-(3,4-difluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F462-0521
2-{3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropteridin-1-yl}-N-(3,4-difluorophenyl)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

F462-0521

Molecular Formula

C21H14ClF2N5O3 (C21 H14 ClF2 N5 O3)

Compound Name

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

IUPAC name

2-{3-[(2-chlorophenyl)methyl]-24-dioxo-1234-tetrahydropteridin-1-yl}-N-(34-difluorophenyl)acetamide

SMILES

O=C(CN(c1c(C(N2Cc(cccc3)c3Cl)=O)nccn1)C2=O)Nc(cc1)cc(F)c1F

InChI

InChI=1S/C21H14ClF2N5O3/c22-14-4-2-1-3-12(14)10-29-20(31)18-19(26-8-7-25-18)28(21(29)32)11-17(30)27-13-5-6-15(23)16(24)9-13/h1-9H,10-11H2,(H,27,30)

InChI Key

OINIPZPHAIVEKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27130893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.82

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

3.575

Distribution Coefficient, logD

3.568

Water Solubility, LogSw

-3.74

Polar Surface Area

74.656

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

F462-0521 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F462-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F462-0521?
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What is the minimum amount of F462-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F462-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F462-0521
  • 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 F462-0521 available by request