C255-0053 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide

C255-0053 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide
C255-0053 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C255-0053
1-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-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

C255-0053

Molecular Formula

C20H26N2O4 (C20 H26 N2 O4)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide

SMILES

CC(CC1)(C(NC2CCCCC2)=O)N(Cc(cc2)cc3c2OCO3)C1=O

InChI

InChI=1S/C20H26N2O4/c1-20(19(24)21-15-5-3-2-4-6-15)10-9-18(23)22(20)12-14-7-8-16-17(11-14)26-13-25-16/h7-8,11,15H,2-6,9-10,12-13H2,1H3,(H,21,24)/t20-/m0/s1

InChI Key

FDAHYHSXUIMUNO-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14736159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.259

Distribution Coefficient, logD

3.259

Water Solubility, LogSw

-3.41

Polar Surface Area

58.102

Acid Dissociation Constant (pKa)

14.55

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

C255-0053 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS MPO Library (28609 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Dark Chemical Matter Library (18430 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • Cyclic compounds
  • Pool
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C255-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C255-0053?
Check Price and Availability of C255-0053, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C255-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C255-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C255-0053
  • 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 C255-0053 available by request