N058-0411 Screening compound: 9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate

N058-0411 Screening compound: 9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate
N058-0411 Screening compound: 9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate alternative view

Chemical Structure Depiction of ChemDiv screening compound N058-0411
9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate

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

N058-0411

Molecular Formula

C17H21NO4 (C17 H21 NO4)

Compound Name

9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate

IUPAC name

n/a

SMILES

CN1C(C2)C3OC3C1CC2OC(C(CO)c1ccccc1)=O

InChI

InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3

InChI Key

STECJAGHUSJQJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657258

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

303.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.772

Distribution Coefficient, logD

0.386

Water Solubility, LogSw

-0.98

Polar Surface Area

49.129

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

14.00

N058-0411 in Drug Discovery

Included in Screening Libraries

Launched & Clinically Evaluated Drugs Library (185 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with N058-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N058-0411?
Check Price and Availability of N058-0411, 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 N058-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N058-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N058-0411
  • 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 N058-0411 available by request