C798-1223 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methyl-1-phenyl-1H-pyrazol-5-yl]piperidine-4-carboxamide

C798-1223 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methyl-1-phenyl-1H-pyrazol-5-yl]piperidine-4-carboxamide
C798-1223 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methyl-1-phenyl-1H-pyrazol-5-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1223
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methyl-1-phenyl-1H-pyrazol-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

C798-1223

Molecular Formula

C30H39N5O (C30 H39 N5 O)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-methyl-1-phenyl-1H-pyrazol-5-yl]piperidine-4-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-[4-(25-dimethyl-1H-pyrrol-1-yl)-3-methyl-1-phenyl-1H-pyrazol-5-yl]piperidine-4-carboxamide

SMILES

Cc1ccc(C)n1-c(c(C)nn1-c2ccccc2)c1N(CC1)CCC1C(NCCC1=CCCCC1)=O

InChI

InChI=1S/C30H39N5O/c1-22-14-15-23(2)34(22)28-24(3)32-35(27-12-8-5-9-13-27)30(28)33-20-17-26(18-21-33)29(36)31-19-16-25-10-6-4-7-11-25/h5,8-10,12-15,26H,4,6-7,11,16-21H2,1-3H3,(H,31,36)

InChI Key

IMLTWYYXCUNDRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.67

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.837

Distribution Coefficient, logD

4.836

Water Solubility, LogSw

-4.40

Polar Surface Area

43.649

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

C798-1223 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)

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C798-1223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1223?
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What is the minimum amount of C798-1223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1223
  • 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 C798-1223 available by request