8009-3856 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-[4-(pentyloxy)phenyl]ethanediamide

8009-3856 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-[4-(pentyloxy)phenyl]ethanediamide
8009-3856 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-[4-(pentyloxy)phenyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3856
N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-[4-(pentyloxy)phenyl]ethanediamide

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

8009-3856

Molecular Formula

C21H30N2O3 (C21 H30 N2 O3)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-[4-(pentyloxy)phenyl]ethanediamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-[4-(pentyloxy)phenyl]ethanediamide

SMILES

CCCCCOc(cc1)ccc1NC(C(NCCC1=CCCCC1)=O)=O

InChI

InChI=1S/C21H30N2O3/c1-2-3-7-16-26-19-12-10-18(11-13-19)23-21(25)20(24)22-15-14-17-8-5-4-6-9-17/h8,10-13H,2-7,9,14-16H2,1H3,(H,22,24)(H,23,25)

InChI Key

DLRHDVUKYNQEAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01439386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.471

Distribution Coefficient, logD

4.182

Water Solubility, LogSw

-4.21

Polar Surface Area

55.466

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

8009-3856 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with 8009-3856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3856?
Check Price and Availability of 8009-3856, 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 8009-3856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3856
  • 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 8009-3856 available by request