C798-1307 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-({1-[(4-methylphenyl)methyl]-1H-indol-2-yl}methyl)piperidine-4-carboxamide

C798-1307 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-({1-[(4-methylphenyl)methyl]-1H-indol-2-yl}methyl)piperidine-4-carboxamide
C798-1307 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-({1-[(4-methylphenyl)methyl]-1H-indol-2-yl}methyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1307
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-({1-[(4-methylphenyl)methyl]-1H-indol-2-yl}methyl)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

C798-1307

Molecular Formula

C31H39N3O (C31 H39 N3 O)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-({1-[(4-methylphenyl)methyl]-1H-indol-2-yl}methyl)piperidine-4-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-({1-[(4-methylphenyl)methyl]-1H-indol-2-yl}methyl)piperidine-4-carboxamide

SMILES

Cc1ccc(Cn(c(CN(CC2)CCC2C(NCCC2=CCCCC2)=O)c2)c3c2cccc3)cc1

InChI

InChI=1S/C31H39N3O/c1-24-11-13-26(14-12-24)22-34-29(21-28-9-5-6-10-30(28)34)23-33-19-16-27(17-20-33)31(35)32-18-15-25-7-3-2-4-8-25/h5-7,9-14,21,27H,2-4,8,15-20,22-23H2,1H3,(H,32,35)

InChI Key

OFGTUJRMZGRCFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26966420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.67

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.732

Distribution Coefficient, logD

3.634

Water Solubility, LogSw

-6.02

Polar Surface Area

29.353

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

9.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.20

C798-1307 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

MCL1 Targeted Library (12200 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C798-1307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1307?
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What is the minimum amount of C798-1307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1307
  • 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 C798-1307 available by request