N118-0046 Screening compound: 5-methyl-N~2~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)-2-pyrazinecarboxamide

N118-0046 Screening compound: 5-methyl-N~2~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)-2-pyrazinecarboxamide
N118-0046 Screening compound: 5-methyl-N~2~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)-2-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N118-0046
5-methyl-N~2~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)-2-pyrazinecarboxamide

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

N118-0046

Molecular Formula

C23H32N6O3 (C23 H32 N6 O3)

Compound Name

5-methyl-N~2~-(1-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-4-piperidyl)-2-pyrazinecarboxamide

IUPAC name

n/a

SMILES

Cc(nc1)cnc1C(NC(CC1)CCN1C(N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O)=O

InChI

InChI=1S/C23H32N6O3/c1-15-10-25-19(11-24-15)22(31)26-18-5-7-27(8-6-18)23(32)28-12-16-9-17(14-28)20-3-2-4-21(30)29(20)13-16/h10-11,16-18,20H,2-9,12-14H2,1H3,(H,26,31)/t16-,17+,20+/m0/s1

InChI Key

ATYYBBNCRQZQDL-SQGPQFPESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.687

Distribution Coefficient, logD

0.687

Water Solubility, LogSw

-1.68

Polar Surface Area

76.954

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

1.98

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

69.60

N118-0046 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with N118-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N118-0046?
Check Price and Availability of N118-0046, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of N118-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N118-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N118-0046
  • 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 N118-0046 available by request