N119-0116 Screening compound: 4-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-N-phenethyltetrahydro-1(2H)-pyrazinecarboxamide

N119-0116 Screening compound: 4-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-N-phenethyltetrahydro-1(2H)-pyrazinecarboxamide
N119-0116 Screening compound: 4-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-N-phenethyltetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N119-0116
4-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}-N-phenethyltetrahydro-1(2H)-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

N119-0116

Molecular Formula

C25H35N5O3 (C25 H35 N5 O3)

Compound Name

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

IUPAC name

4-[(1R2R9S)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]tridecane-11-carbonyl]-N-(2-phenylethyl)piperazine-1-carboxamide

SMILES

O=C(NCCc1ccccc1)N(CC1)CCN1C(N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O

InChI

InChI=1S/C25H35N5O3/c31-23-8-4-7-22-21-15-20(17-30(22)23)16-29(18-21)25(33)28-13-11-27(12-14-28)24(32)26-10-9-19-5-2-1-3-6-19/h1-3,5-6,20-22H,4,7-18H2,(H,26,32)/t20-,21+,22+/m0/s1

InChI Key

BOCVEUMRBPROPF-BHDDXSALSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.898

Distribution Coefficient, logD

1.898

Water Solubility, LogSw

-2.17

Polar Surface Area

61.367

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

64.00

N119-0116 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 N119-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N119-0116?
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What is the minimum amount of N119-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N119-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N119-0116
  • 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 N119-0116 available by request