Y300-0422 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]propanamide

Y300-0422 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]propanamide
Y300-0422 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y300-0422
3-(2H-1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)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

Y300-0422

Molecular Formula

C17H16ClNO3 (C17 H16 ClNO3)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]propanamide

IUPAC name

3-(2H-13-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]propanamide

SMILES

O=C(CCc(cc1)cc2c1OCO2)NCc(cc1)ccc1Cl

InChI

InChI=1S/C17H16ClNO3/c18-14-5-1-13(2-6-14)10-19-17(20)8-4-12-3-7-15-16(9-12)22-11-21-15/h1-3,5-7,9H,4,8,10-11H2,(H,19,20)

InChI Key

RSPOVISAUYCTOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15707329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.77

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

3.507

Distribution Coefficient, logD

3.507

Water Solubility, LogSw

-3.67

Polar Surface Area

41.554

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

Y300-0422 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y300-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y300-0422?
Check Price and Availability of Y300-0422, 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 Y300-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y300-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y300-0422
  • 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 Y300-0422 available by request