3533-0155 Screening compound: 2-[(heptylamino)methylidene]-5-phenylcyclohexane-1,3-dione

3533-0155 Screening compound: 2-[(heptylamino)methylidene]-5-phenylcyclohexane-1,3-dione
3533-0155 Screening compound: 2-[(heptylamino)methylidene]-5-phenylcyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3533-0155
2-[(heptylamino)methylidene]-5-phenylcyclohexane-1,3-dione

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

3533-0155

Molecular Formula

C20H27NO2 (C20 H27 NO2)

Compound Name

2-[(heptylamino)methylidene]-5-phenylcyclohexane-1,3-dione

IUPAC name

2-[(heptylamino)methylidene]-5-phenylcyclohexane-13-dione

SMILES

CCCCCCCNC=C(C(CC(C1)c2ccccc2)=O)C1=O

InChI

InChI=1S/C20H27NO2/c1-2-3-4-5-9-12-21-15-18-19(22)13-17(14-20(18)23)16-10-7-6-8-11-16/h6-8,10-11,15,17,21H,2-5,9,12-14H2,1H3

InChI Key

GRKHXMSXOWUSCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01243884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.471

Distribution Coefficient, logD

4.470

Water Solubility, LogSw

-4.33

Polar Surface Area

39.628

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3533-0155 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3533-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3533-0155?
Check Price and Availability of 3533-0155, 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 3533-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3533-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3533-0155
  • 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 3533-0155 available by request