Y032-4122 Screening compound: 2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1H-inden-5-yl)acetamide

Y032-4122 Screening compound: 2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
Y032-4122 Screening compound: 2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1H-inden-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-4122
2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1H-inden-5-yl)acetamide

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

Y032-4122

Molecular Formula

C18H17NO4 (C18 H17 NO4)

Compound Name

2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1H-inden-5-yl)acetamide

IUPAC name

2-(2H-13-benzodioxol-5-yloxy)-N-(23-dihydro-1H-inden-5-yl)acetamide

SMILES

O=C(COc(cc1)cc2c1OCO2)Nc1cc(CCC2)c2cc1

InChI

InChI=1S/C18H17NO4/c20-18(19-14-5-4-12-2-1-3-13(12)8-14)10-21-15-6-7-16-17(9-15)23-11-22-16/h4-9H,1-3,10-11H2,(H,19,20)

InChI Key

CIMMDQRMQQUMAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06362964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.604

Distribution Coefficient, logD

3.604

Water Solubility, LogSw

-3.59

Polar Surface Area

48.017

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

Y032-4122 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y032-4122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-4122?
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What is the minimum amount of Y032-4122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-4122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-4122
  • 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 Y032-4122 available by request