N109-0036 Screening compound: (1R,2R,9R)-11-[1-(3-fluorobenzoyl)-4-piperidyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N109-0036 Screening compound: (1R,2R,9R)-11-[1-(3-fluorobenzoyl)-4-piperidyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N109-0036 Screening compound: (1R,2R,9R)-11-[1-(3-fluorobenzoyl)-4-piperidyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N109-0036
(1R,2R,9R)-11-[1-(3-fluorobenzoyl)-4-piperidyl]-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

N109-0036

Molecular Formula

C23H30FN3O2 (C23 H30 FN3 O2)

Compound Name

(1R,2R,9R)-11-[1-(3-fluorobenzoyl)-4-piperidyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

IUPAC name

(1R2R9R)-11-[1-(3-fluorobenzoyl)piperidin-4-yl]-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

O=C(c1cccc(F)c1)N(CC1)CCC1N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O

InChI

InChI=1S/C23H30FN3O2/c24-19-4-1-3-17(12-19)23(29)25-9-7-20(8-10-25)26-13-16-11-18(15-26)21-5-2-6-22(28)27(21)14-16/h1,3-4,12,16,18,20-21H,2,5-11,13-15H2/t16-,18+,21+/m0/s1

InChI Key

CJEBNCAFXMEDHZ-YRISNDGFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.126

Distribution Coefficient, logD

-1.089

Water Solubility, LogSw

-2.42

Polar Surface Area

36.214

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

10.62

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

65.22

N109-0036 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with N109-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N109-0036?
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What is the minimum amount of N109-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N109-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N109-0036
  • 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 N109-0036 available by request