N107-0074 Screening compound: (1R,2R,9S)-11-(1,3-benzodioxol-5-ylcarbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N107-0074 Screening compound: (1R,2R,9S)-11-(1,3-benzodioxol-5-ylcarbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N107-0074 Screening compound: (1R,2R,9S)-11-(1,3-benzodioxol-5-ylcarbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N107-0074
(1R,2R,9S)-11-(1,3-benzodioxol-5-ylcarbonyl)-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

N107-0074

Molecular Formula

C19H22N2O4 (C19 H22 N2 O4)

Compound Name

(1R,2R,9S)-11-(1,3-benzodioxol-5-ylcarbonyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

IUPAC name

(1R2R9R)-11-(2H-13-benzodioxole-5-carbonyl)-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

O=C(c(cc1)cc2c1OCO2)N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O

InChI

InChI=1S/C19H22N2O4/c22-18-3-1-2-15-14-6-12(9-21(15)18)8-20(10-14)19(23)13-4-5-16-17(7-13)25-11-24-16/h4-5,7,12,14-15H,1-3,6,8-11H2/t12-,14+,15+/m0/s1

InChI Key

XXBKIYJETRUMOI-NWANDNLSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.511

Distribution Coefficient, logD

1.511

Water Solubility, LogSw

-1.89

Polar Surface Area

50.236

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

57.90

N107-0074 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Natural-Product-Based Library (3730 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with N107-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N107-0074?
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What is the minimum amount of N107-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N107-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N107-0074
  • 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 N107-0074 available by request