5624-0850 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4-dimethoxybenzamide

5624-0850 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4-dimethoxybenzamide
5624-0850 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5624-0850
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4-dimethoxybenzamide

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

5624-0850

Molecular Formula

C17H17NO5 (C17 H17 NO5)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-34-dimethoxybenzamide

SMILES

COc(ccc(C(NCc(cc1)cc2c1OCO2)=O)c1)c1OC

InChI

InChI=1S/C17H17NO5/c1-20-13-6-4-12(8-15(13)21-2)17(19)18-9-11-3-5-14-16(7-11)23-10-22-14/h3-8H,9-10H2,1-2H3,(H,18,19)

InChI Key

XVLXQGFRLPIMRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01188478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.224

Distribution Coefficient, logD

2.224

Water Solubility, LogSw

-2.79

Polar Surface Area

57.028

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

5624-0850 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with 5624-0850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5624-0850?
Check Price and Availability of 5624-0850, 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 5624-0850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5624-0850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5624-0850
  • 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 5624-0850 available by request