N039-0005 Screening compound: 3-(FURAN-3-YL)-3A,7-DIMETHYL-1,3,3A,4,5,6-HEXAHYDRO-2-BENZOFURAN-1-ONE

N039-0005 Screening compound: 3-(FURAN-3-YL)-3A,7-DIMETHYL-1,3,3A,4,5,6-HEXAHYDRO-2-BENZOFURAN-1-ONE
N039-0005 Screening compound: 3-(FURAN-3-YL)-3A,7-DIMETHYL-1,3,3A,4,5,6-HEXAHYDRO-2-BENZOFURAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound N039-0005
3-(FURAN-3-YL)-3A,7-DIMETHYL-1,3,3A,4,5,6-HEXAHYDRO-2-BENZOFURAN-1-ONE

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

N039-0005

Molecular Formula

C14H16O3 (C14 H16 O3)

Compound Name

3-(FURAN-3-YL)-3A,7-DIMETHYL-1,3,3A,4,5,6-HEXAHYDRO-2-BENZOFURAN-1-ONE

IUPAC name

n/a

SMILES

C[C@]1([C@H](c2cocc2)OC2=O)C2=C(C)CCC1

InChI

InChI=1S/C14H16O3/c1-9-4-3-6-14(2)11(9)13(15)17-12(14)10-5-7-16-8-10/h5,7-8,12H,3-4,6H2,1-2H3/t12-,14-/m1/s1

InChI Key

XYYAFLHHHZVPRN-TZMCWYRMSA-N

MDL Number (MFCD)

MFCD01533838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.964

Distribution Coefficient, logD

2.964

Water Solubility, LogSw

-3.35

Polar Surface Area

29.768

Acid Dissociation Constant (pKa)

26.97

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

8.00

N039-0005 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Natural Compounds Library (353 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with N039-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N039-0005?
Check Price and Availability of N039-0005, 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 N039-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N039-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N039-0005
  • 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 N039-0005 available by request