Y300-3189 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]propanamide

Y300-3189 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]propanamide
Y300-3189 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y300-3189
N-[(2H-1,3-benzodioxol-5-yl)methyl]propanamide

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

Y300-3189

Molecular Formula

C11H13NO3 (C11 H13 NO3)

Compound Name

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

IUPAC name

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

SMILES

CCC(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C11H13NO3/c1-2-11(13)12-6-8-3-4-9-10(5-8)15-7-14-9/h3-5H,2,6-7H2,1H3,(H,12,13)

InChI Key

TULFMIXQWNDACP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03378697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

207.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.591

Distribution Coefficient, logD

1.591

Water Solubility, LogSw

-2.17

Polar Surface Area

41.825

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

Y300-3189 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

PLpro Library (6343 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y300-3189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y300-3189?
Check Price and Availability of Y300-3189, 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 Y300-3189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y300-3189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y300-3189
  • 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 Y300-3189 available by request