C094-1721 Screening compound: N-cyclohexyl-2-[N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamido]-2-methylbutanamide

C094-1721 Screening compound: N-cyclohexyl-2-[N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamido]-2-methylbutanamide
C094-1721 Screening compound: N-cyclohexyl-2-[N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamido]-2-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1721
N-cyclohexyl-2-[N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2,5-dioxoimidazolidin-4-yl)acetamido]-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

C094-1721

Molecular Formula

C27H36N6O5 (C27 H36 N6 O5)

Compound Name

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

IUPAC name

N-cyclohexyl-2-[N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-2-(25-dioxoimidazolidin-4-yl)acetamido]-2-methylbutanamide

SMILES

CCC(C)(C(NC1CCCCC1)=O)N(C(CC(C(N1)=O)NC1=O)=O)C(C1=O)=C(C)N(C)N1c1ccccc1

InChI

InChI=1S/C27H36N6O5/c1-5-27(3,25(37)28-18-12-8-6-9-13-18)32(21(34)16-20-23(35)30-26(38)29-20)22-17(2)31(4)33(24(22)36)19-14-10-7-11-15-19/h7,10-11,14-15,18,20H,5-6,8-9,12-13,16H2,1-4H3,(H,28,37)(H2,29,30,35,38)

InChI Key

LSMOFCCEXLLQSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05029045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.190

Distribution Coefficient, logD

1.187

Water Solubility, LogSw

-1.57

Polar Surface Area

109.331

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

-5.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.90

C094-1721 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C094-1721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1721?
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What is the minimum amount of C094-1721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1721
  • 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 C094-1721 available by request