8009-8961 Screening compound: N-[3-(azepan-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-N-cyclohexylacetamide

8009-8961 Screening compound: N-[3-(azepan-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-N-cyclohexylacetamide
8009-8961 Screening compound: N-[3-(azepan-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8961
N-[3-(azepan-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-N-cyclohexylacetamide

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

8009-8961

Molecular Formula

C24H30N2O3 (C24 H30 N2 O3)

Compound Name

N-[3-(azepan-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-N-cyclohexylacetamide

IUPAC name

N-[3-(azepan-1-yl)-14-dioxo-14-dihydronaphthalen-2-yl]-N-cyclohexylacetamide

SMILES

CC(N(C1CCCCC1)C(C(c(cccc1)c1C1=O)=O)=C1N1CCCCCC1)=O

InChI

InChI=1S/C24H30N2O3/c1-17(27)26(18-11-5-4-6-12-18)22-21(25-15-9-2-3-10-16-25)23(28)19-13-7-8-14-20(19)24(22)29/h7-8,13-14,18H,2-6,9-12,15-16H2,1H3

InChI Key

GQUZQBBSQVIVNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.822

Distribution Coefficient, logD

4.810

Water Solubility, LogSw

-4.62

Polar Surface Area

45.515

Acid Dissociation Constant (pKa)

23.82

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

8009-8961 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-8961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8961?
Check Price and Availability of 8009-8961, 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 8009-8961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8961
  • 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 8009-8961 available by request