N069-0072 Screening compound: (6aR,6bR,10E,12aR)-2,2,6a,6b,9,9,12a-heptamethylicosahydro-10H-1,4a-(epoxymethano)picen-10-one oxime

N069-0072 Screening compound: (6aR,6bR,10E,12aR)-2,2,6a,6b,9,9,12a-heptamethylicosahydro-10H-1,4a-(epoxymethano)picen-10-one oxime
N069-0072 Screening compound: (6aR,6bR,10E,12aR)-2,2,6a,6b,9,9,12a-heptamethylicosahydro-10H-1,4a-(epoxymethano)picen-10-one oxime alternative view

Chemical Structure Depiction of ChemDiv screening compound N069-0072
(6aR,6bR,10E,12aR)-2,2,6a,6b,9,9,12a-heptamethylicosahydro-10H-1,4a-(epoxymethano)picen-10-one oxime

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

N069-0072

Molecular Formula

C30H49NO2 (C30 H49 NO2)

Compound Name

(6aR,6bR,10E,12aR)-2,2,6a,6b,9,9,12a-heptamethylicosahydro-10H-1,4a-(epoxymethano)picen-10-one oxime

IUPAC name

N-[(4R5R10E13R)-4599132020-heptamethyl-24-oxahexacyclo[17.3.2.0^{118}.0^{417}.0^{514}.0^{813}]tetracosan-10-ylidene]hydroxylamine

SMILES

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

InChI

InChI=1S/C30H49NO2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)33-18-30)8-9-21-27(5)12-11-22(31-32)26(3,4)20(27)10-13-29(21,28)7/h19-21,23-24,32H,8-18H2,1-7H3/t19?,20?,21?,23?,24?,27-,28+,29+,30?/m1/s1

InChI Key

QXSNOJKVEVATLM-UTBUAYKNSA-N

MDL Number (MFCD)

MFCD02059108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.72

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.032

Distribution Coefficient, logD

6.032

Water Solubility, LogSw

-5.89

Polar Surface Area

38.979

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

96.70

N069-0072 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with N069-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N069-0072?
Check Price and Availability of N069-0072, 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 N069-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N069-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N069-0072
  • 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 N069-0072 available by request