5782-4842 Screening compound: N~1~-(2,5-dimethoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzamide

5782-4842 Screening compound: N~1~-(2,5-dimethoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzamide
5782-4842 Screening compound: N~1~-(2,5-dimethoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5782-4842
N~1~-(2,5-dimethoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzamide

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

5782-4842

Molecular Formula

C24H24N2O5 (C24 H24 N2 O5)

Compound Name

N~1~-(2,5-dimethoxyphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzamide

IUPAC name

N-(25-dimethoxyphenyl)-3-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]decan-4-yl}benzamide

SMILES

COc(cc1)cc(NC(c2cccc(N(C(C3C4C5CC3CC5)=O)C4=O)c2)=O)c1OC

InChI

InChI=1S/C24H24N2O5/c1-30-17-8-9-19(31-2)18(12-17)25-22(27)15-4-3-5-16(11-15)26-23(28)20-13-6-7-14(10-13)21(20)24(26)29/h3-5,8-9,11-14,20-21H,6-7,10H2,1-2H3,(H,25,27)

InChI Key

GFNWUJUEMOZKQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03070700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.467

Distribution Coefficient, logD

2.441

Water Solubility, LogSw

-3.05

Polar Surface Area

67.292

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

37.50

5782-4842 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5782-4842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5782-4842?
Check Price and Availability of 5782-4842, 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 5782-4842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5782-4842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5782-4842
  • 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 5782-4842 available by request