N109-0021 Screening compound: (1R,2R,9R)-11-[1-(2-thienylcarbonyl)-4-piperidyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N109-0021 Screening compound: (1R,2R,9R)-11-[1-(2-thienylcarbonyl)-4-piperidyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N109-0021 Screening compound: (1R,2R,9R)-11-[1-(2-thienylcarbonyl)-4-piperidyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N109-0021
(1R,2R,9R)-11-[1-(2-thienylcarbonyl)-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

N109-0021

Molecular Formula

C21H29N3O2S (C21 H29 N3 O2 S)

Compound Name

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

IUPAC name

n/a

SMILES

O=C(c1cccs1)N(CC1)CCC1N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O

InChI

InChI=1S/C21H29N3O2S/c25-20-5-1-3-18-16-11-15(13-24(18)20)12-23(14-16)17-6-8-22(9-7-17)21(26)19-4-2-10-27-19/h2,4,10,15-18H,1,3,5-9,11-14H2/t15-,16+,18+/m0/s1

InChI Key

MLXNARCMENILGM-LZLYRXPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.55

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

2.224

Distribution Coefficient, logD

-0.992

Water Solubility, LogSw

-2.33

Polar Surface Area

37.232

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

10.62

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

71.43

N109-0021 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 N109-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N109-0021?
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What is the minimum amount of N109-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N109-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N109-0021
  • 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 N109-0021 available by request