F345-0581 Screening compound: N-cyclohexyl-4-[({3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}carbamoyl)methyl]piperidine-1-carboxamide

F345-0581 Screening compound: N-cyclohexyl-4-[({3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}carbamoyl)methyl]piperidine-1-carboxamide
F345-0581 Screening compound: N-cyclohexyl-4-[({3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}carbamoyl)methyl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F345-0581
N-cyclohexyl-4-[({3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}carbamoyl)methyl]piperidine-1-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

F345-0581

Molecular Formula

C28H45N5O3 (C28 H45 N5 O3)

Compound Name

N-cyclohexyl-4-[({3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}carbamoyl)methyl]piperidine-1-carboxamide

IUPAC name

N-cyclohexyl-4-[({3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}carbamoyl)methyl]piperidine-1-carboxamide

SMILES

COc(cc1)ccc1N1CCN(CCCNC(CC(CC2)CCN2C(NC2CCCCC2)=O)=O)CC1

InChI

InChI=1S/C28H45N5O3/c1-36-26-10-8-25(9-11-26)32-20-18-31(19-21-32)15-5-14-29-27(34)22-23-12-16-33(17-13-23)28(35)30-24-6-3-2-4-7-24/h8-11,23-24H,2-7,12-22H2,1H3,(H,29,34)(H,30,35)

InChI Key

SSDHTYWPAONVPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27117269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.386

Distribution Coefficient, logD

2.800

Water Solubility, LogSw

-3.56

Polar Surface Area

65.583

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

F345-0581 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F345-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F345-0581?
Check Price and Availability of F345-0581, 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 F345-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F345-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F345-0581
  • 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 F345-0581 available by request