F667-0439 Screening compound: 3-ethyl-6-methyl-5-{4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl}-1-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

F667-0439 Screening compound: 3-ethyl-6-methyl-5-{4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl}-1-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
F667-0439 Screening compound: 3-ethyl-6-methyl-5-{4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl}-1-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F667-0439
3-ethyl-6-methyl-5-{4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl}-1-phenyl-1,2,3,4-tetrahydropyrimidine-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

F667-0439

Molecular Formula

C26H30N4O4 (C26 H30 N4 O4)

Compound Name

3-ethyl-6-methyl-5-{4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl}-1-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

3-ethyl-6-methyl-5-{4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl}-1-phenyl-1234-tetrahydropyrimidine-24-dione

SMILES

CCN(C(C(N(CC1)CCN1C(COc1cc(C)ccc1)=O)=C(C)N1c2ccccc2)=O)C1=O

InChI

InChI=1S/C26H30N4O4/c1-4-29-25(32)24(20(3)30(26(29)33)21-10-6-5-7-11-21)28-15-13-27(14-16-28)23(31)18-34-22-12-8-9-19(2)17-22/h5-12,17H,4,13-16,18H2,1-3H3

InChI Key

GEVBNSWDXJAURZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14961711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.763

Distribution Coefficient, logD

2.759

Water Solubility, LogSw

-2.89

Polar Surface Area

57.951

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

F667-0439 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F667-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F667-0439?
Check Price and Availability of F667-0439, 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 F667-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F667-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F667-0439
  • 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 F667-0439 available by request