F462-1016 Screening compound: 1-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropteridine-2,4-dione

F462-1016 Screening compound: 1-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropteridine-2,4-dione
F462-1016 Screening compound: 1-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropteridine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F462-1016
1-ethyl-3-[(4-methoxyphenyl)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

F462-1016

Molecular Formula

C16H16N4O3 (C16 H16 N4 O3)

Compound Name

1-ethyl-3-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropteridine-2,4-dione

IUPAC name

1-ethyl-3-[(4-methoxyphenyl)methyl]-1234-tetrahydropteridine-24-dione

SMILES

CCN(c1c(C(N2Cc(cc3)ccc3OC)=O)nccn1)C2=O

InChI

InChI=1S/C16H16N4O3/c1-3-19-14-13(17-8-9-18-14)15(21)20(16(19)22)10-11-4-6-12(23-2)7-5-11/h4-9H,3,10H2,1-2H3

InChI Key

TUGAWINNOSALEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27131053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.054

Distribution Coefficient, logD

2.054

Water Solubility, LogSw

-2.34

Polar Surface Area

59.047

Acid Dissociation Constant (pKa)

25.92

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F462-1016 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F462-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F462-1016?
Check Price and Availability of F462-1016, 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 F462-1016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F462-1016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F462-1016
  • 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 F462-1016 available by request