N109-0046 Screening compound: (1R,2R,9R)-11-{1-[(5-methyl-2-thienyl)carbonyl]-4-piperidyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N109-0046 Screening compound: (1R,2R,9R)-11-{1-[(5-methyl-2-thienyl)carbonyl]-4-piperidyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N109-0046 Screening compound: (1R,2R,9R)-11-{1-[(5-methyl-2-thienyl)carbonyl]-4-piperidyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N109-0046
(1R,2R,9R)-11-{1-[(5-methyl-2-thienyl)carbonyl]-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

N109-0046

Molecular Formula

C22H31N3O2S (C22 H31 N3 O2 S)

Compound Name

(1R,2R,9R)-11-{1-[(5-methyl-2-thienyl)carbonyl]-4-piperidyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

IUPAC name

n/a

SMILES

Cc1ccc(C(N(CC2)CCC2N(C[C@@H](C2)C3)C[C@@H]2[C@@H](CCC2)N3C2=O)=O)s1

InChI

InChI=1S/C22H31N3O2S/c1-15-5-6-20(28-15)22(27)23-9-7-18(8-10-23)24-12-16-11-17(14-24)19-3-2-4-21(26)25(19)13-16/h5-6,16-19H,2-4,7-14H2,1H3/t16-,17+,19+/m0/s1

InChI Key

LBNYGSIRCQMSIB-YQVWRLOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.57

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

2.860

Distribution Coefficient, logD

-0.356

Water Solubility, LogSw

-3.12

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

72.70

References: we are preparing a list of scientific research reports with N109-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N109-0046?
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What is the minimum amount of N109-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N109-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N109-0046
  • 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 N109-0046 available by request