F666-0732 Screening compound: N-(3-chloro-4-methoxyphenyl)-1-(3-ethyl-6-methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl)piperidine-4-carboxamide

F666-0732 Screening compound: N-(3-chloro-4-methoxyphenyl)-1-(3-ethyl-6-methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl)piperidine-4-carboxamide
F666-0732 Screening compound: N-(3-chloro-4-methoxyphenyl)-1-(3-ethyl-6-methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F666-0732
N-(3-chloro-4-methoxyphenyl)-1-(3-ethyl-6-methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl)piperidine-4-carboxamide

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

F666-0732

Molecular Formula

C26H29ClN4O4 (C26 H29 ClN4 O4)

Compound Name

N-(3-chloro-4-methoxyphenyl)-1-(3-ethyl-6-methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl)piperidine-4-carboxamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-1-(3-ethyl-6-methyl-24-dioxo-1-phenyl-1234-tetrahydropyrimidin-5-yl)piperidine-4-carboxamide

SMILES

CCN(C(C(N(CC1)CCC1C(Nc(cc1)cc(Cl)c1OC)=O)=C(C)N1c2ccccc2)=O)C1=O

InChI

InChI=1S/C26H29ClN4O4/c1-4-30-25(33)23(17(2)31(26(30)34)20-8-6-5-7-9-20)29-14-12-18(13-15-29)24(32)28-19-10-11-22(35-3)21(27)16-19/h5-11,16,18H,4,12-15H2,1-3H3,(H,28,32)

InChI Key

GDQDHKINCZZYNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27183075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.525

Distribution Coefficient, logD

2.979

Water Solubility, LogSw

-3.75

Polar Surface Area

65.245

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

F666-0732 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F666-0732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F666-0732?
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What is the minimum amount of F666-0732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F666-0732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F666-0732
  • 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 F666-0732 available by request