N115-0097 Screening compound: 6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-N~3~-[3-(trifluoromethyl)benzyl]nicotinamide

N115-0097 Screening compound: 6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-N~3~-[3-(trifluoromethyl)benzyl]nicotinamide
N115-0097 Screening compound: 6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-N~3~-[3-(trifluoromethyl)benzyl]nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N115-0097
6-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-N~3~-[3-(trifluoromethyl)benzyl]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

N115-0097

Molecular Formula

C25H27F3N4O2 (C25 H27 F3 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-(trifluoromethyl)benzyl]nicotinamide

IUPAC name

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

SMILES

O=C(c(cc1)cnc1N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)NCc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C25H27F3N4O2/c26-25(27,28)20-4-1-3-16(10-20)11-30-24(34)18-7-8-22(29-12-18)31-13-17-9-19(15-31)21-5-2-6-23(33)32(21)14-17/h1,3-4,7-8,10,12,17,19,21H,2,5-6,9,11,13-15H2,(H,30,34)/t17-,19+,21+/m0/s1

InChI Key

VJAHMONMUHUHDB-FBBABVLZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.683

Distribution Coefficient, logD

3.683

Water Solubility, LogSw

-4.06

Polar Surface Area

52.939

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

48.00

N115-0097 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with N115-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N115-0097?
Check Price and Availability of N115-0097, 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 N115-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N115-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N115-0097
  • 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 N115-0097 available by request