N119-0113 Screening compound: N-(3-methoxypropyl)-4-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}tetrahydro-1(2H)-pyrazinecarboxamide

N119-0113 Screening compound: N-(3-methoxypropyl)-4-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}tetrahydro-1(2H)-pyrazinecarboxamide
N119-0113 Screening compound: N-(3-methoxypropyl)-4-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N119-0113
N-(3-methoxypropyl)-4-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}tetrahydro-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

N119-0113

Molecular Formula

C21H35N5O4 (C21 H35 N5 O4)

Compound Name

N-(3-methoxypropyl)-4-{[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]carbonyl}tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

N-(3-methoxypropyl)-4-[(1R2R9S)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]tridecane-11-carbonyl]piperazine-1-carboxamide

SMILES

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

InChI

InChI=1S/C21H35N5O4/c1-30-11-3-6-22-20(28)23-7-9-24(10-8-23)21(29)25-13-16-12-17(15-25)18-4-2-5-19(27)26(18)14-16/h16-18H,2-15H2,1H3,(H,22,28)/t16-,17+,18+/m0/s1

InChI Key

MRTNOCQWMXDFQF-RCCFBDPRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.657

Distribution Coefficient, logD

0.657

Water Solubility, LogSw

-1.29

Polar Surface Area

69.981

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

85.71

N119-0113 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 N119-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N119-0113?
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What is the minimum amount of N119-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N119-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N119-0113
  • 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 N119-0113 available by request