3409-4085 Screening compound: N-(6-chloro-2-oxo-2H-chromen-3-yl)-4-methylbenzamide

3409-4085 Screening compound: N-(6-chloro-2-oxo-2H-chromen-3-yl)-4-methylbenzamide
3409-4085 Screening compound: N-(6-chloro-2-oxo-2H-chromen-3-yl)-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3409-4085
N-(6-chloro-2-oxo-2H-chromen-3-yl)-4-methylbenzamide

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

3409-4085

Molecular Formula

C17H12ClNO3 (C17 H12 ClNO3)

Compound Name

N-(6-chloro-2-oxo-2H-chromen-3-yl)-4-methylbenzamide

IUPAC name

N-(6-chloro-2-oxo-2H-chromen-3-yl)-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(NC1=Cc(cc(cc2)Cl)c2OC1=O)=O

InChI

InChI=1S/C17H12ClNO3/c1-10-2-4-11(5-3-10)16(20)19-14-9-12-8-13(18)6-7-15(12)22-17(14)21/h2-9H,1H3,(H,19,20)

InChI Key

YYPQQEGJAIJFJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.74

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.737

Distribution Coefficient, logD

3.691

Water Solubility, LogSw

-4.35

Polar Surface Area

45.215

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

3409-4085 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3409-4085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3409-4085?
Check Price and Availability of 3409-4085, 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 3409-4085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3409-4085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3409-4085
  • 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 3409-4085 available by request