N094-0027 Screening compound: (1alpha,14alpha,16beta)-20-ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diol

N094-0027 Screening compound: (1alpha,14alpha,16beta)-20-ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diol
N094-0027 Screening compound: (1alpha,14alpha,16beta)-20-ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound N094-0027
(1alpha,14alpha,16beta)-20-ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diol

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

N094-0027

Molecular Formula

C24H39NO5 (C24 H39 NO5)

Compound Name

(1alpha,14alpha,16beta)-20-ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diol

IUPAC name

(4S6S8S13S16S)-11-ethyl-616-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{25}.0^{110}.0^{38}.0^{1317}]nonadecane-48-diol

SMILES

CCN(C[C@](COC)(CC1)C2CC3[C@@](C[C@@H](C4CC56)OC)(C6[C@H]4O)O)C3C25[C@H]1OC

InChI

InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13?,14?,15?,16-,17?,18+,19?,20-,21?,22+,23+,24?/m1/s1

InChI Key

BDCURAWBZJMFIK-SYXAMJFCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.218

Distribution Coefficient, logD

0.395

Water Solubility, LogSw

-2.24

Polar Surface Area

56.361

Acid Dissociation Constant (pKa)

15.27

Base Dissociation Constant (pKb)

8.15

Number of Chiral Centers

12.00

Percent sp3 carbon bonding

100.00

N094-0027 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Natural Compounds Library (353 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with N094-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N094-0027?
Check Price and Availability of N094-0027, 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 N094-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N094-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N094-0027
  • 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 N094-0027 available by request