N066-0058 Screening compound: (6aR,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethylicosahydro-2H-1,4a-(epoxymethano)picen-10-yl acetate

N066-0058 Screening compound: (6aR,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethylicosahydro-2H-1,4a-(epoxymethano)picen-10-yl acetate
N066-0058 Screening compound: (6aR,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethylicosahydro-2H-1,4a-(epoxymethano)picen-10-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound N066-0058
(6aR,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethylicosahydro-2H-1,4a-(epoxymethano)picen-10-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

N066-0058

Molecular Formula

C32H52O3 (C32 H52 O3)

Compound Name

(6aR,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethylicosahydro-2H-1,4a-(epoxymethano)picen-10-yl acetate

IUPAC name

(4R5R13R)-4599132020-heptamethyl-24-oxahexacyclo[17.3.2.0^{118}.0^{417}.0^{514}.0^{813}]tetracosan-10-yl acetate

SMILES

CC(C)(CC1)C2OCC1(CC1)C2C(CC2)[C@@]1(C)[C@@](C)(CC1)C2[C@](C)(CC2)C1C(C)(C)C2OC(C)=O

InChI

InChI=1S/C32H52O3/c1-20(33)35-24-12-13-29(6)22(28(24,4)5)11-14-31(8)23(29)10-9-21-25-26-27(2,3)15-17-32(25,19-34-26)18-16-30(21,31)7/h21-26H,9-19H2,1-8H3/t21?,22?,23?,24?,25?,26?,29-,30+,31+,32?/m1/s1

InChI Key

XFGCWXJSPYRAAG-JXPOZSMMSA-N

MDL Number (MFCD)

MFCD01845144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.580

Distribution Coefficient, logD

6.580

Water Solubility, LogSw

-5.92

Polar Surface Area

29.980

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

10.00

Percent sp3 carbon bonding

96.90

N066-0058 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Akt-Targeted Library (14764 compounds)

Natural Compounds Library (353 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Cyclic compounds
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with N066-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N066-0058?
Check Price and Availability of N066-0058, 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 N066-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N066-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N066-0058
  • 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 N066-0058 available by request