N085-0085 Screening compound: 5-methyl-1-{[(2-nitrophenyl)amino]methyl}-decahydroquinolizin-5-ium

N085-0085 Screening compound: 5-methyl-1-{[(2-nitrophenyl)amino]methyl}-decahydroquinolizin-5-ium
N085-0085 Screening compound: 5-methyl-1-{[(2-nitrophenyl)amino]methyl}-decahydroquinolizin-5-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound N085-0085
5-methyl-1-{[(2-nitrophenyl)amino]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

N085-0085

Molecular Formula

C17H26N3O2 (C17 H26 N3 O2)

Compound Name

5-methyl-1-{[(2-nitrophenyl)amino]methyl}-decahydroquinolizin-5-ium

IUPAC name

5-methyl-1-{[(2-nitrophenyl)amino]methyl}-decahydroquinolizin-5-ium

SMILES

C[N+]1(CCCC2)C2C(CNc(cccc2)c2[N+]([O-])=O)CCC1

InChI

InChI=1S/C17H26N3O2/c1-20-11-5-4-10-17(20)14(7-6-12-20)13-18-15-8-2-3-9-16(15)19(21)22/h2-3,8-9,14,17-18H,4-7,10-13H2,1H3/q+1

InChI Key

SDYOTJCUHWNRJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03021417

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

304.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.700

Distribution Coefficient, logD

2.700

Water Solubility, LogSw

-3.00

Polar Surface Area

42.726

Acid Dissociation Constant (pKa)

17.70

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

64.70

N085-0085 in Drug Discovery

Included in Screening Libraries

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

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with N085-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N085-0085?
Check Price and Availability of N085-0085, 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 N085-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N085-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N085-0085
  • 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 N085-0085 available by request