C094-1589 Screening compound: 2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide

C094-1589 Screening compound: 2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
C094-1589 Screening compound: 2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1589
2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide

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

C094-1589

Molecular Formula

C27H36N2O2 (C27 H36 N2 O2)

Compound Name

2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide

IUPAC name

2-(4-benzylpiperidin-1-yl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide

SMILES

COc1ccc(C(C(NC2CCCCC2)=O)N2CCC(Cc3ccccc3)CC2)cc1

InChI

InChI=1S/C27H36N2O2/c1-31-25-14-12-23(13-15-25)26(27(30)28-24-10-6-3-7-11-24)29-18-16-22(17-19-29)20-21-8-4-2-5-9-21/h2,4-5,8-9,12-15,22,24,26H,3,6-7,10-11,16-20H2,1H3,(H,28,30)/t26-/m1/s1

InChI Key

BVJBGRPQVIEONL-AREMUKBSSA-N

MDL Number (MFCD)

MFCD03449968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.863

Distribution Coefficient, logD

5.723

Water Solubility, LogSw

-5.53

Polar Surface Area

34.674

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

6.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.90

C094-1589 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Digestive system
  • Nervous system
Targets:
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C094-1589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1589?
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What is the minimum amount of C094-1589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1589
  • 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 C094-1589 available by request