N017-0007 Screening compound: 1-(2-hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-b]oxiren-6-yl)-1-ethanone

N017-0007 Screening compound: 1-(2-hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-b]oxiren-6-yl)-1-ethanone
N017-0007 Screening compound: 1-(2-hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-b]oxiren-6-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound N017-0007
1-(2-hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-b]oxiren-6-yl)-1-ethanone

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

N017-0007

Molecular Formula

C21H30O3 (C21 H30 O3)

Compound Name

1-(2-hydroxy-4a,6a-dimethyl-1,2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,9-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-b]oxiren-6-yl)-1-ethanone

IUPAC name

1-{14-hydroxy-711-dimethyl-5-oxapentacyclo[8.8.0.0^{27}.0^{46}.0^{1116}]octadec-16-en-6-yl}ethan-1-one

SMILES

CC1(CC2)C3(C(C)=O)OC3CC1C1C2C(C)(CCC(C2)O)C2=CC1

InChI

InChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3

InChI Key

UQVIXFCYKBWZPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.220

Distribution Coefficient, logD

3.220

Water Solubility, LogSw

-4.29

Polar Surface Area

38.003

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

85.70

N017-0007 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Steroid-like Compounds (494 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Natural Compounds Library (353 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • 3D
  • Fragments
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with N017-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N017-0007?
Check Price and Availability of N017-0007, 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 N017-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N017-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N017-0007
  • 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 N017-0007 available by request