F666-1058 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-1-(3,6-dimethyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl)piperidine-4-carboxamide

F666-1058 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-1-(3,6-dimethyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl)piperidine-4-carboxamide
F666-1058 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-1-(3,6-dimethyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F666-1058
N-{3-[cyclohexyl(methyl)amino]propyl}-1-(3,6-dimethyl-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

F666-1058

Molecular Formula

C28H41N5O3 (C28 H41 N5 O3)

Compound Name

N-{3-[cyclohexyl(methyl)amino]propyl}-1-(3,6-dimethyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl)piperidine-4-carboxamide

IUPAC name

N-{3-[cyclohexyl(methyl)amino]propyl}-1-(36-dimethyl-24-dioxo-1-phenyl-1234-tetrahydropyrimidin-5-yl)piperidine-4-carboxamide

SMILES

CC(N(c1ccccc1)C(N(C)C1=O)=O)=C1N(CC1)CCC1C(NCCCN(C)C1CCCCC1)=O

InChI

InChI=1S/C28H41N5O3/c1-21-25(27(35)31(3)28(36)33(21)24-13-8-5-9-14-24)32-19-15-22(16-20-32)26(34)29-17-10-18-30(2)23-11-6-4-7-12-23/h5,8-9,13-14,22-23H,4,6-7,10-12,15-20H2,1-3H3,(H,29,34)

InChI Key

FCULCKYOPXDNQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27183152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.702

Distribution Coefficient, logD

0.119

Water Solubility, LogSw

-2.85

Polar Surface Area

61.857

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.70

F666-1058 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with F666-1058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F666-1058?
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What is the minimum amount of F666-1058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F666-1058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F666-1058
  • 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 F666-1058 available by request