N109-0141 Screening compound: (1R,2R,9R)-11-[1-(4-pyridylcarbonyl)-4-piperidyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N109-0141 Screening compound: (1R,2R,9R)-11-[1-(4-pyridylcarbonyl)-4-piperidyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N109-0141 Screening compound: (1R,2R,9R)-11-[1-(4-pyridylcarbonyl)-4-piperidyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N109-0141
(1R,2R,9R)-11-[1-(4-pyridylcarbonyl)-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

N109-0141

Molecular Formula

C22H30N4O2 (C22 H30 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccncc1)N(CC1)CCC1N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O

InChI

InChI=1S/C22H30N4O2/c27-21-3-1-2-20-18-12-16(14-26(20)21)13-25(15-18)19-6-10-24(11-7-19)22(28)17-4-8-23-9-5-17/h4-5,8-9,16,18-20H,1-3,6-7,10-15H2/t16-,18+,20+/m0/s1

InChI Key

XTQBDIXNLLFDQK-ILZDJORESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.838

Distribution Coefficient, logD

-2.377

Water Solubility, LogSw

-0.88

Polar Surface Area

45.642

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

10.62

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

68.18

N109-0141 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 N109-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N109-0141?
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What is the minimum amount of N109-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N109-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N109-0141
  • 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 N109-0141 available by request