N115-0134 Screening compound: (1R,11AR)-3-{5-[(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)CARBONYL]PYRIDIN-2-YL}DECAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE

N115-0134 Screening compound: (1R,11AR)-3-{5-[(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)CARBONYL]PYRIDIN-2-YL}DECAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE
N115-0134 Screening compound: (1R,11AR)-3-{5-[(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)CARBONYL]PYRIDIN-2-YL}DECAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound N115-0134
(1R,11AR)-3-{5-[(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)CARBONYL]PYRIDIN-2-YL}DECAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE

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

N115-0134

Molecular Formula

C28H32N4O2 (C28 H32 N4 O2)

Compound Name

(1R,11AR)-3-{5-[(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)CARBONYL]PYRIDIN-2-YL}DECAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE

IUPAC name

(1R2R9R)-11-[5-(4-phenyl-1236-tetrahydropyridine-1-carbonyl)pyridin-2-yl]-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

O=C(c(cc1)cnc1N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)N(CC1)CC=C1c1ccccc1

InChI

InChI=1S/C28H32N4O2/c33-27-8-4-7-25-24-15-20(18-32(25)27)17-31(19-24)26-10-9-23(16-29-26)28(34)30-13-11-22(12-14-30)21-5-2-1-3-6-21/h1-3,5-6,9-11,16,20,24-25H,4,7-8,12-15,17-19H2/t20-,24+,25+/m0/s1

InChI Key

XYNODRFDDGVNIM-BUUDZMLXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.731

Distribution Coefficient, logD

3.731

Water Solubility, LogSw

-4.05

Polar Surface Area

44.902

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

46.43

N115-0134 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with N115-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N115-0134?
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What is the minimum amount of N115-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N115-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N115-0134
  • 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 N115-0134 available by request