F667-0457 Screening compound: 3-ethyl-6-methyl-5-[4-(2-phenoxyacetyl)piperazin-1-yl]-1-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

F667-0457 Screening compound: 3-ethyl-6-methyl-5-[4-(2-phenoxyacetyl)piperazin-1-yl]-1-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
F667-0457 Screening compound: 3-ethyl-6-methyl-5-[4-(2-phenoxyacetyl)piperazin-1-yl]-1-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F667-0457
3-ethyl-6-methyl-5-[4-(2-phenoxyacetyl)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

F667-0457

Molecular Formula

C25H28N4O4 (C25 H28 N4 O4)

Compound Name

3-ethyl-6-methyl-5-[4-(2-phenoxyacetyl)piperazin-1-yl]-1-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

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

SMILES

CCN(C(C(N(CC1)CCN1C(COc1ccccc1)=O)=C(C)N1c2ccccc2)=O)C1=O

InChI

InChI=1S/C25H28N4O4/c1-3-28-24(31)23(19(2)29(25(28)32)20-10-6-4-7-11-20)27-16-14-26(15-17-27)22(30)18-33-21-12-8-5-9-13-21/h4-13H,3,14-18H2,1-2H3

InChI Key

LVWDVCNVFLUZRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14961720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

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

2.243

Distribution Coefficient, logD

2.239

Water Solubility, LogSw

-2.22

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

32.00

F667-0457 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F667-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F667-0457?
Check Price and Availability of F667-0457, 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 F667-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F667-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F667-0457
  • 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 F667-0457 available by request