4813-0963 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methoxybenzamide

4813-0963 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methoxybenzamide
4813-0963 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4813-0963
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methoxybenzamide

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

4813-0963

Molecular Formula

C16H15NO4 (C16 H15 NO4)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C16H15NO4/c1-19-13-5-3-12(4-6-13)16(18)17-9-11-2-7-14-15(8-11)21-10-20-14/h2-8H,9-10H2,1H3,(H,17,18)

InChI Key

CTKBDPPSXIVRIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01153039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.3

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

2.582

Distribution Coefficient, logD

2.582

Water Solubility, LogSw

-2.95

Polar Surface Area

49.311

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

4813-0963 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4813-0963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4813-0963?
Check Price and Availability of 4813-0963, 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 4813-0963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4813-0963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4813-0963
  • 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 4813-0963 available by request