N109-0121 Screening compound: N~1~-(3-fluorophenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]tetrahydro-1(2H)-pyridinecarboxamide

N109-0121 Screening compound: N~1~-(3-fluorophenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]tetrahydro-1(2H)-pyridinecarboxamide
N109-0121 Screening compound: N~1~-(3-fluorophenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N109-0121
N~1~-(3-fluorophenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]tetrahydro-1(2H)-pyridinecarboxamide

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

N109-0121

Molecular Formula

C23H31FN4O2 (C23 H31 FN4 O2)

Compound Name

N~1~-(3-fluorophenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

N-(3-fluorophenyl)-4-[(1R2R9R)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]tridecan-11-yl]piperidine-1-carboxamide

SMILES

O=C(Nc1cccc(F)c1)N(CC1)CCC1N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O

InChI

InChI=1S/C23H31FN4O2/c24-18-3-1-4-19(12-18)25-23(30)26-9-7-20(8-10-26)27-13-16-11-17(15-27)21-5-2-6-22(29)28(21)14-16/h1,3-4,12,16-17,20-21H,2,5-11,13-15H2,(H,25,30)/t16-,17+,21+/m0/s1

InChI Key

RROQBSCTDPBTPA-CSODHUTKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.601

Distribution Coefficient, logD

-0.354

Water Solubility, LogSw

-2.95

Polar Surface Area

45.034

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

10.36

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

65.22

N109-0121 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with N109-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N109-0121?
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What is the minimum amount of N109-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N109-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N109-0121
  • 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 N109-0121 available by request