N085-0035 Screening compound: 1-[(acetyloxy)methyl]-5-methyl-decahydroquinolizin-5-ium

N085-0035 Screening compound: 1-[(acetyloxy)methyl]-5-methyl-decahydroquinolizin-5-ium
N085-0035 Screening compound: 1-[(acetyloxy)methyl]-5-methyl-decahydroquinolizin-5-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound N085-0035
1-[(acetyloxy)methyl]-5-methyl-decahydroquinolizin-5-ium

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

N085-0035

Molecular Formula

C13H24NO2 (C13 H24 NO2)

Compound Name

1-[(acetyloxy)methyl]-5-methyl-decahydroquinolizin-5-ium

IUPAC name

(1S)-1-[(acetyloxy)methyl]-5-methyl-decahydroquinolizin-5-ium

SMILES

CC(OCC1C(CCCC2)[N+]2(C)CCC1)=O

InChI

InChI=1S/C13H24NO2/c1-11(15)16-10-12-6-5-9-14(2)8-4-3-7-13(12)14/h12-13H,3-10H2,1-2H3/q+1/t12-,13?,14?/m1/s1

InChI Key

IRJFKIJBEVHDQK-IYXRBSQSSA-N

MDL Number (MFCD)

MFCD03021415

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

226.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.395

Distribution Coefficient, logD

1.395

Water Solubility, LogSw

-1.24

Polar Surface Area

21.339

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

92.30

N085-0035 in Drug Discovery

Included in Screening Libraries

Natural Compounds Library (353 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with N085-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N085-0035?
Check Price and Availability of N085-0035, 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 N085-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N085-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N085-0035
  • 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 N085-0035 available by request