0115-0011 Screening compound: 9-hydroxy-3,5a,9-trimethyl-2H,3H,3aH,4H,5H,5aH,6H,9H,9aH,9bH-naphtho[1,2-b]furan-2,6-dione

0115-0011 Screening compound: 9-hydroxy-3,5a,9-trimethyl-2H,3H,3aH,4H,5H,5aH,6H,9H,9aH,9bH-naphtho[1,2-b]furan-2,6-dione
0115-0011 Screening compound: 9-hydroxy-3,5a,9-trimethyl-2H,3H,3aH,4H,5H,5aH,6H,9H,9aH,9bH-naphtho[1,2-b]furan-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0115-0011
9-hydroxy-3,5a,9-trimethyl-2H,3H,3aH,4H,5H,5aH,6H,9H,9aH,9bH-naphtho[1,2-b]furan-2,6-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

0115-0011

Molecular Formula

C15H20O4 (C15 H20 O4)

Compound Name

9-hydroxy-3,5a,9-trimethyl-2H,3H,3aH,4H,5H,5aH,6H,9H,9aH,9bH-naphtho[1,2-b]furan-2,6-dione

IUPAC name

(3S3aS5aR9R9aS9bS)-9-hydroxy-35a9-trimethyl-2H3H3aH4H5H5aH6H9H9aH9bH-naphtho[12-b]furan-26-dione

SMILES

C[C@@H]([C@H](CC[C@](C)([C@@H]1[C@@](C)(C=C2)O)C2=O)[C@@H]1O1)C1=O

InChI

InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9-,11+,12+,14+,15-/m1/s1

InChI Key

NGPDZEACIWDCKX-DYLBMRNYSA-N

MDL Number (MFCD)

MFCD00808402

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

1.498

Distribution Coefficient, logD

1.498

Water Solubility, LogSw

-2.20

Polar Surface Area

51.135

Acid Dissociation Constant (pKa)

15.43

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

73.30

0115-0011 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0115-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0115-0011?
Check Price and Availability of 0115-0011, 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 0115-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0115-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0115-0011
  • 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 0115-0011 available by request