N107-0017 Screening compound: (1R,2R,9S)-11-(2-fluorobenzoyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N107-0017 Screening compound: (1R,2R,9S)-11-(2-fluorobenzoyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N107-0017 Screening compound: (1R,2R,9S)-11-(2-fluorobenzoyl)-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N107-0017
(1R,2R,9S)-11-(2-fluorobenzoyl)-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

N107-0017

Molecular Formula

C18H21FN2O2 (C18 H21 FN2 O2)

Compound Name

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

IUPAC name

(1R2R9R)-11-(2-fluorobenzoyl)-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

O=C(c(cccc1)c1F)N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O

InChI

InChI=1S/C18H21FN2O2/c19-15-5-2-1-4-14(15)18(23)20-9-12-8-13(11-20)16-6-3-7-17(22)21(16)10-12/h1-2,4-5,12-13,16H,3,6-11H2/t12-,13+,16+/m0/s1

InChI Key

VRXHIVFCDBBPTI-WOSRLPQWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.808

Distribution Coefficient, logD

1.808

Water Solubility, LogSw

-2.33

Polar Surface Area

33.120

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

55.56

N107-0017 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with N107-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N107-0017?
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What is the minimum amount of N107-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N107-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N107-0017
  • 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 N107-0017 available by request