6455-0078 Screening compound: 6-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(6-quinolyl)hexanamide

6455-0078 Screening compound: 6-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(6-quinolyl)hexanamide
6455-0078 Screening compound: 6-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(6-quinolyl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6455-0078
6-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(6-quinolyl)hexanamide

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

6455-0078

Molecular Formula

C24H25N3O3 (C24 H25 N3 O3)

Compound Name

6-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(6-quinolyl)hexanamide

IUPAC name

6-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}-N-(quinolin-6-yl)hexanamide

SMILES

O=C(CCCCCN(C(C1C2C3C=CC1C3)=O)C2=O)Nc1cc2cccnc2cc1

InChI

InChI=1S/C24H25N3O3/c28-20(26-18-9-10-19-15(14-18)5-4-11-25-19)6-2-1-3-12-27-23(29)21-16-7-8-17(13-16)22(21)24(27)30/h4-5,7-11,14,16-17,21-22H,1-3,6,12-13H2,(H,26,28)

InChI Key

UHDSGQUWFDGKJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.268

Distribution Coefficient, logD

2.268

Water Solubility, LogSw

-3.03

Polar Surface Area

62.227

Acid Dissociation Constant (pKa)

11.71

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

41.70

6455-0078 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Autophagy-Targeted Library (4564 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
Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 6455-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6455-0078?
Check Price and Availability of 6455-0078, 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 6455-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6455-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6455-0078
  • 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 6455-0078 available by request