F462-1013 Screening compound: 3-[(4-methoxyphenyl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydropteridine-2,4-dione

F462-1013 Screening compound: 3-[(4-methoxyphenyl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydropteridine-2,4-dione
F462-1013 Screening compound: 3-[(4-methoxyphenyl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydropteridine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F462-1013
3-[(4-methoxyphenyl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydropteridine-2,4-dione

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

F462-1013

Molecular Formula

C22H17F3N4O3 (C22 H17 F3 N4 O3)

Compound Name

3-[(4-methoxyphenyl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydropteridine-2,4-dione

IUPAC name

3-[(4-methoxyphenyl)methyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1234-tetrahydropteridine-24-dione

SMILES

COc1ccc(CN(C(c2nccnc2N2Cc3cccc(C(F)(F)F)c3)=O)C2=O)cc1

InChI

InChI=1S/C22H17F3N4O3/c1-32-17-7-5-14(6-8-17)12-29-20(30)18-19(27-10-9-26-18)28(21(29)31)13-15-3-2-4-16(11-15)22(23,24)25/h2-11H,12-13H2,1H3

InChI Key

ITZKBNPPSOBLBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27131052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.068

Distribution Coefficient, logD

4.068

Water Solubility, LogSw

-4.34

Polar Surface Area

59.050

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F462-1013 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F462-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F462-1013?
Check Price and Availability of F462-1013, 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 F462-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F462-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F462-1013
  • 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 F462-1013 available by request