J029-0089 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylcyclopentane-1-carboxamide

J029-0089 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylcyclopentane-1-carboxamide
J029-0089 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylcyclopentane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J029-0089
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylcyclopentane-1-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

J029-0089

Molecular Formula

C20H21NO3 (C20 H21 NO3)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylcyclopentane-1-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-1-phenylcyclopentane-1-carboxamide

SMILES

O=C(C1(CCCC1)c1ccccc1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C20H21NO3/c22-19(20(10-4-5-11-20)15-6-2-1-3-7-15)21-16-8-9-17-18(14-16)24-13-12-23-17/h1-3,6-9,14H,4-5,10-13H2,(H,21,22)

InChI Key

XLKSPDXTOWSOMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03839591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.39

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

3.213

Distribution Coefficient, logD

3.212

Water Solubility, LogSw

-3.40

Polar Surface Area

39.439

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

J029-0089 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J029-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J029-0089?
Check Price and Availability of J029-0089, 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 J029-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J029-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J029-0089
  • 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 J029-0089 available by request