C094-1590 Screening compound: 2-(4-benzylpiperidin-1-yl)-2-(4-chlorophenyl)-N-cyclohexylacetamide

C094-1590 Screening compound: 2-(4-benzylpiperidin-1-yl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
C094-1590 Screening compound: 2-(4-benzylpiperidin-1-yl)-2-(4-chlorophenyl)-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1590
2-(4-benzylpiperidin-1-yl)-2-(4-chlorophenyl)-N-cyclohexylacetamide

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

C094-1590

Molecular Formula

C26H33ClN2O (C26 H33 ClN2 O)

Compound Name

2-(4-benzylpiperidin-1-yl)-2-(4-chlorophenyl)-N-cyclohexylacetamide

IUPAC name

2-(4-benzylpiperidin-1-yl)-2-(4-chlorophenyl)-N-cyclohexylacetamide

SMILES

O=C(C(c(cc1)ccc1Cl)N1CCC(Cc2ccccc2)CC1)NC1CCCCC1

InChI

InChI=1S/C26H33ClN2O/c27-23-13-11-22(12-14-23)25(26(30)28-24-9-5-2-6-10-24)29-17-15-21(16-18-29)19-20-7-3-1-4-8-20/h1,3-4,7-8,11-14,21,24-25H,2,5-6,9-10,15-19H2,(H,28,30)/t25-/m1/s1

InChI Key

COHVTKVIRPRDJF-RUZDIDTESA-N

MDL Number (MFCD)

MFCD03449969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.01

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.476

Distribution Coefficient, logD

6.398

Water Solubility, LogSw

-6.51

Polar Surface Area

27.131

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C094-1590 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Proteases

References: we are preparing a list of scientific research reports with C094-1590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1590?
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What is the minimum amount of C094-1590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1590
  • 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 C094-1590 available by request