N109-0251 Screening compound: N~1~-methyl-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]tetrahydro-1(2H)-pyridinecarboxamide

N109-0251 Screening compound: N~1~-methyl-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]tetrahydro-1(2H)-pyridinecarboxamide
N109-0251 Screening compound: N~1~-methyl-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 N109-0251
N~1~-methyl-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

N109-0251

Molecular Formula

C18H30N4O2 (C18 H30 N4 O2)

Compound Name

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

SMILES

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

InChI

InChI=1S/C18H30N4O2/c1-19-18(24)20-7-5-15(6-8-20)21-10-13-9-14(12-21)16-3-2-4-17(23)22(16)11-13/h13-16H,2-12H2,1H3,(H,19,24)/t13-,14+,16+/m0/s1

InChI Key

RPLQZBCWKSDLSB-SQWLQELKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.835

Distribution Coefficient, logD

-2.121

Water Solubility, LogSw

-1.45

Polar Surface Area

46.779

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

10.36

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

88.89

N109-0251 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with N109-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N109-0251?
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What is the minimum amount of N109-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N109-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N109-0251
  • 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 N109-0251 available by request