N002-0028 Screening compound: 5-hydroxy-5,8-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,4aH,5H,6H,7H,7aH,9aH-azuleno[6,5-b]furan-7-yl acetate

N002-0028 Screening compound: 5-hydroxy-5,8-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,4aH,5H,6H,7H,7aH,9aH-azuleno[6,5-b]furan-7-yl acetate
N002-0028 Screening compound: 5-hydroxy-5,8-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,4aH,5H,6H,7H,7aH,9aH-azuleno[6,5-b]furan-7-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound N002-0028
5-hydroxy-5,8-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,4aH,5H,6H,7H,7aH,9aH-azuleno[6,5-b]furan-7-yl acetate

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

N002-0028

Molecular Formula

C17H22O5 (C17 H22 O5)

Compound Name

5-hydroxy-5,8-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,4aH,5H,6H,7H,7aH,9aH-azuleno[6,5-b]furan-7-yl acetate

IUPAC name

(3aR4aR5R7S7aS)-5-hydroxy-58-dimethyl-3-methylidene-2-oxo-2H3H3aH4H4aH5H6H7H7aH9aH-azuleno[65-b]furan-7-yl acetate

SMILES

C[C@](C[C@H]1OC(C)=O)([C@@H](C[C@H]2C3=C)[C@@H]1C(C)=CC2OC3=O)O

InChI

InChI=1S/C17H22O5/c1-8-5-13-11(9(2)16(19)22-13)6-12-15(8)14(21-10(3)18)7-17(12,4)20/h5,11-15,20H,2,6-7H2,1,3-4H3/t11-,12-,13?,14+,15-,17+/m1/s1

InChI Key

UTPGJEROJZHISI-HZSLZJIKSA-N

MDL Number (MFCD)

MFCD00808446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.558

Distribution Coefficient, logD

1.558

Water Solubility, LogSw

-2.09

Polar Surface Area

58.176

Acid Dissociation Constant (pKa)

15.92

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

64.70

N002-0028 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with N002-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N002-0028?
Check Price and Availability of N002-0028, 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 N002-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N002-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N002-0028
  • 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 N002-0028 available by request