N056-0017 Screening compound: 6'-ethoxy-6',9a,11a-trimethyl-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-[1,5]dioxane]-3',7,10-trione

N056-0017 Screening compound: 6'-ethoxy-6',9a,11a-trimethyl-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-[1,5]dioxane]-3',7,10-trione
N056-0017 Screening compound: 6'-ethoxy-6',9a,11a-trimethyl-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-[1,5]dioxane]-3',7,10-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound N056-0017
6'-ethoxy-6',9a,11a-trimethyl-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-[1,5]dioxane]-3',7,10-trione

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

N056-0017

Molecular Formula

C25H32O6 (C25 H32 O6)

Compound Name

6'-ethoxy-6',9a,11a-trimethyl-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-[1,5]dioxane]-3',7,10-trione

IUPAC name

(1R)-6'-ethoxy-6'9a11a-trimethyl-233a3b4579a9b101111a-dodecahydrospiro[cyclopenta[a]phenanthrene-12'-[15]dioxane]-3'710-trione

SMILES

CCOC(C)(OC1)OC(CC2)(C(C)(C3)C2C(CCC(C2(C)C=C4)=CC4=O)C2C3=O)C1=O

InChI

InChI=1S/C25H32O6/c1-5-29-24(4)30-14-20(28)25(31-24)11-9-18-17-7-6-15-12-16(26)8-10-22(15,2)21(17)19(27)13-23(18,25)3/h8,10,12,17-18,21H,5-7,9,11,13-14H2,1-4H3/t17?,18?,21?,22?,23?,24?,25-/m1/s1

InChI Key

KPMVTEIRVTYPFF-NUNZTUFRSA-N

MDL Number (MFCD)

MFCD01450449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.899

Distribution Coefficient, logD

3.899

Water Solubility, LogSw

-4.59

Polar Surface Area

63.903

Acid Dissociation Constant (pKa)

19.22

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

72.00

N056-0017 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Autophagy-Targeted Library (4564 compounds)

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

Glucocorticoid receptors Library (4806 compounds)

Steroid-like Compounds (494 compounds)

Natural Compounds Library (353 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with N056-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N056-0017?
Check Price and Availability of N056-0017, 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 N056-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N056-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N056-0017
  • 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 N056-0017 available by request