N010-0014 Screening compound: (1S,9S)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

N010-0014 Screening compound: (1S,9S)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
N010-0014 Screening compound: (1S,9S)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N010-0014
(1S,9S)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-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

N010-0014

Molecular Formula

C11H14N2O (C11 H14 N2 O)

Compound Name

(1S,9S)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

IUPAC name

(1S9S)-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-6-one

SMILES

O=C1N(C[C@@H]2CNC[C@@H]3C2)C3=CC=C1

InChI

InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m1/s1

InChI Key

ANJTVLIZGCUXLD-BDAKNGLRSA-N

MDL Number (MFCD)

MFCD06494499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

190.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.059

Distribution Coefficient, logD

-0.808

Water Solubility, LogSw

-0.38

Polar Surface Area

28.085

Acid Dissociation Constant (pKa)

25.27

Base Dissociation Constant (pKb)

9.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.55

N010-0014 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS Annotated Library (688 compounds)

CNS MPO Library (28609 compounds)

Human Ion Channels Annotated Library (353 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with N010-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N010-0014?
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What is the minimum amount of N010-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N010-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N010-0014
  • 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 N010-0014 available by request