N107-0141 Screening compound: (1R,2R,9S)-11-(4-pyridylcarbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N107-0141 Screening compound: (1R,2R,9S)-11-(4-pyridylcarbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N107-0141 Screening compound: (1R,2R,9S)-11-(4-pyridylcarbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N107-0141
(1R,2R,9S)-11-(4-pyridylcarbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-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

N107-0141

Molecular Formula

C17H21N3O2 (C17 H21 N3 O2)

Compound Name

(1R,2R,9S)-11-(4-pyridylcarbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

IUPAC name

(1R2R9R)-11-(pyridine-4-carbonyl)-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

O=C(c1ccncc1)N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O

InChI

InChI=1S/C17H21N3O2/c21-16-3-1-2-15-14-8-12(10-20(15)16)9-19(11-14)17(22)13-4-6-18-7-5-13/h4-7,12,14-15H,1-3,8-11H2/t12-,14+,15+/m0/s1

InChI Key

APJIOOVIXZLYRI-NWANDNLSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.424

Distribution Coefficient, logD

0.421

Water Solubility, LogSw

-0.84

Polar Surface Area

42.548

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

58.82

N107-0141 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with N107-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N107-0141?
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What is the minimum amount of N107-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N107-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N107-0141
  • 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 N107-0141 available by request