8001-9256 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chlorobenzamide

8001-9256 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chlorobenzamide
8001-9256 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-9256
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chlorobenzamide

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

8001-9256

Molecular Formula

C15H12ClNO3 (C15 H12 ClNO3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1)c1Cl)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C15H12ClNO3/c16-12-4-2-1-3-11(12)15(18)17-8-10-5-6-13-14(7-10)20-9-19-13/h1-7H,8-9H2,(H,17,18)

InChI Key

QAKBOELPSGWCOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00423483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.72

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

3.353

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.77

Polar Surface Area

41.767

Acid Dissociation Constant (pKa)

12.27

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8001-9256 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)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8001-9256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-9256?
Check Price and Availability of 8001-9256, 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 8001-9256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-9256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-9256
  • 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 8001-9256 available by request