N003-0017 Screening compound: 6a-hydroxy-6,9a-dimethyl-3-methylidene-dodecahydroazuleno[4,5-b]furan-2,9-dione

N003-0017 Screening compound: 6a-hydroxy-6,9a-dimethyl-3-methylidene-dodecahydroazuleno[4,5-b]furan-2,9-dione
N003-0017 Screening compound: 6a-hydroxy-6,9a-dimethyl-3-methylidene-dodecahydroazuleno[4,5-b]furan-2,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound N003-0017
6a-hydroxy-6,9a-dimethyl-3-methylidene-dodecahydroazuleno[4,5-b]furan-2,9-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

N003-0017

Molecular Formula

C15H20O4 (C15 H20 O4)

Compound Name

6a-hydroxy-6,9a-dimethyl-3-methylidene-dodecahydroazuleno[4,5-b]furan-2,9-dione

IUPAC name

6a-hydroxy-69a-dimethyl-3-methylidene-dodecahydroazuleno[45-b]furan-29-dione

SMILES

CC(CCC(C(C1(C)C(CC2)=O)OC3=O)C3=C)C12O

InChI

InChI=1S/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h8,10,12,18H,2,4-7H2,1,3H3

InChI Key

GEUJJEYGSRWXPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.454

Distribution Coefficient, logD

0.454

Water Solubility, LogSw

-1.53

Polar Surface Area

51.419

Acid Dissociation Constant (pKa)

16.77

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

73.30

N003-0017 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with N003-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N003-0017?
Check Price and Availability of N003-0017, 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 N003-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N003-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N003-0017
  • 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 N003-0017 available by request