Y030-5649 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methylpentanamide

Y030-5649 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methylpentanamide
Y030-5649 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-5649
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methylpentanamide

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

Y030-5649

Molecular Formula

C14H19NO3 (C14 H19 NO3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-methylpentanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-methylpentanamide

SMILES

CCCC(C)C(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C14H19NO3/c1-3-4-10(2)14(16)15-8-11-5-6-12-13(7-11)18-9-17-12/h5-7,10H,3-4,8-9H2,1-2H3,(H,15,16)/t10-/m0/s1

InChI Key

XWXDOICPSDSPFB-JTQLQIEISA-N

MDL Number (MFCD)

MFCD02862688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.650

Distribution Coefficient, logD

2.650

Water Solubility, LogSw

-2.84

Polar Surface Area

42.039

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

Y030-5649 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Pool
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y030-5649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-5649?
Check Price and Availability of Y030-5649, 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 Y030-5649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-5649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-5649
  • 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 Y030-5649 available by request