N115-0058 Screening compound: 6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-N~3~-(3-phenylpropyl)nicotinamide

N115-0058 Screening compound: 6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-N~3~-(3-phenylpropyl)nicotinamide
N115-0058 Screening compound: 6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-N~3~-(3-phenylpropyl)nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N115-0058
6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-N~3~-(3-phenylpropyl)nicotinamide

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

N115-0058

Molecular Formula

C26H32N4O2 (C26 H32 N4 O2)

Compound Name

6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-N~3~-(3-phenylpropyl)nicotinamide

IUPAC name

6-[(1R2R9R)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]tridecan-11-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide

SMILES

O=C(c(cc1)cnc1N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)NCCCc1ccccc1

InChI

InChI=1S/C26H32N4O2/c31-25-10-4-9-23-22-14-20(17-30(23)25)16-29(18-22)24-12-11-21(15-28-24)26(32)27-13-5-8-19-6-2-1-3-7-19/h1-3,6-7,11-12,15,20,22-23H,4-5,8-10,13-14,16-18H2,(H,27,32)/t20-,22+,23+/m0/s1

InChI Key

ZWCUOFLKHJMRFO-MDNUFGMLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.794

Distribution Coefficient, logD

3.794

Water Solubility, LogSw

-4.09

Polar Surface Area

52.780

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

N115-0058 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with N115-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N115-0058?
Check Price and Availability of N115-0058, 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 N115-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N115-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N115-0058
  • 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 N115-0058 available by request