C255-0868 Screening compound: 1-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide

C255-0868 Screening compound: 1-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
C255-0868 Screening compound: 1-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C255-0868
1-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-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

C255-0868

Molecular Formula

C23H36N2O4 (C23 H36 N2 O4)

Compound Name

1-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide

IUPAC name

1-[2-(34-diethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide

SMILES

CCOc(ccc(CCN(C(C)(CC1)C(NCCC(C)C)=O)C1=O)c1)c1OCC

InChI

InChI=1S/C23H36N2O4/c1-6-28-19-9-8-18(16-20(19)29-7-2)12-15-25-21(26)10-13-23(25,5)22(27)24-14-11-17(3)4/h8-9,16-17H,6-7,10-15H2,1-5H3,(H,24,27)/t23-/m0/s1

InChI Key

GBAFFVSKUXEJEO-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14736313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.162

Distribution Coefficient, logD

3.162

Water Solubility, LogSw

-3.22

Polar Surface Area

55.774

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

C255-0868 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C255-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C255-0868?
Check Price and Availability of C255-0868, 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 C255-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C255-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C255-0868
  • 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 C255-0868 available by request