Y031-3488 Screening compound: 1-cyclohexyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

Y031-3488 Screening compound: 1-cyclohexyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
Y031-3488 Screening compound: 1-cyclohexyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3488
1-cyclohexyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-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

Y031-3488

Molecular Formula

C24H33N3O3 (C24 H33 N3 O3)

Compound Name

1-cyclohexyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-cyclohexyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

SMILES

O=C(C(C1)CN(C2CCCCC2)C1=O)Nc(cccc1)c1C(NC1CCCCC1)=O

InChI

InChI=1S/C24H33N3O3/c28-22-15-17(16-27(22)19-11-5-2-6-12-19)23(29)26-21-14-8-7-13-20(21)24(30)25-18-9-3-1-4-10-18/h7-8,13-14,17-19H,1-6,9-12,15-16H2,(H,25,30)(H,26,29)/t17-/m1/s1

InChI Key

VCAFBCBPVWVVFV-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD07152787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

3.669

Water Solubility, LogSw

-3.96

Polar Surface Area

63.353

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

Y031-3488 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y031-3488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3488?
Check Price and Availability of Y031-3488, 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 Y031-3488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3488
  • 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 Y031-3488 available by request