C094-1719 Screening compound: N-cyclohexyl-2-[N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-acetamidoacetamido]-2-methylbutanamide

C094-1719 Screening compound: N-cyclohexyl-2-[N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-acetamidoacetamido]-2-methylbutanamide
C094-1719 Screening compound: N-cyclohexyl-2-[N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-acetamidoacetamido]-2-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1719
N-cyclohexyl-2-[N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-acetamidoacetamido]-2-methylbutanamide

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

C094-1719

Molecular Formula

C26H37N5O4 (C26 H37 N5 O4)

Compound Name

N-cyclohexyl-2-[N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-acetamidoacetamido]-2-methylbutanamide

IUPAC name

N-cyclohexyl-2-[N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-2-acetamidoacetamido]-2-methylbutanamide

SMILES

CCC(C)(C(NC1CCCCC1)=O)N(C(CNC(C)=O)=O)C(C1=O)=C(C)N(C)N1c1ccccc1

InChI

InChI=1S/C26H37N5O4/c1-6-26(4,25(35)28-20-13-9-7-10-14-20)30(22(33)17-27-19(3)32)23-18(2)29(5)31(24(23)34)21-15-11-8-12-16-21/h8,11-12,15-16,20H,6-7,9-10,13-14,17H2,1-5H3,(H,27,32)(H,28,35)/t26-/m0/s1

InChI Key

VEHUVLOTONZECC-SANMLTNESA-N

MDL Number (MFCD)

MFCD14718977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.460

Distribution Coefficient, logD

1.460

Water Solubility, LogSw

-1.63

Polar Surface Area

83.848

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

C094-1719 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C094-1719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1719?
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What is the minimum amount of C094-1719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1719
  • 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 C094-1719 available by request