N109-0142 Screening compound: (1R,2R,9R)-11-{1-[2-(3-chloro-4-methoxyphenyl)acetyl]-4-piperidyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N109-0142 Screening compound: (1R,2R,9R)-11-{1-[2-(3-chloro-4-methoxyphenyl)acetyl]-4-piperidyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N109-0142 Screening compound: (1R,2R,9R)-11-{1-[2-(3-chloro-4-methoxyphenyl)acetyl]-4-piperidyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N109-0142
(1R,2R,9R)-11-{1-[2-(3-chloro-4-methoxyphenyl)acetyl]-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

N109-0142

Molecular Formula

C25H34ClN3O3 (C25 H34 ClN3 O3)

Compound Name

(1R,2R,9R)-11-{1-[2-(3-chloro-4-methoxyphenyl)acetyl]-4-piperidyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

IUPAC name

(1R2R9R)-11-{1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl}-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

COc(ccc(CC(N(CC1)CCC1N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O)c1)c1Cl

InChI

InChI=1S/C25H34ClN3O3/c1-32-23-6-5-17(12-21(23)26)13-25(31)27-9-7-20(8-10-27)28-14-18-11-19(16-28)22-3-2-4-24(30)29(22)15-18/h5-6,12,18-20,22H,2-4,7-11,13-16H2,1H3/t18-,19+,22+/m0/s1

InChI Key

UCNGPURJLKWWOE-NNMXDRDESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.766

Distribution Coefficient, logD

-0.566

Water Solubility, LogSw

-3.39

Polar Surface Area

43.317

Acid Dissociation Constant (pKa)

17.82

Base Dissociation Constant (pKb)

10.73

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

68.00

N109-0142 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with N109-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N109-0142?
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What is the minimum amount of N109-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N109-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N109-0142
  • 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 N109-0142 available by request