N121-0671 Screening compound: 4-{4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanoyl}tetrahydro-2(1H)-pyrazinone

N121-0671 Screening compound: 4-{4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanoyl}tetrahydro-2(1H)-pyrazinone
N121-0671 Screening compound: 4-{4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanoyl}tetrahydro-2(1H)-pyrazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0671
4-{4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanoyl}tetrahydro-2(1H)-pyrazinone

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

N121-0671

Molecular Formula

C25H37N5O2 (C25 H37 N5 O2)

Compound Name

4-{4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanoyl}tetrahydro-2(1H)-pyrazinone

IUPAC name

4-{4-[(5R6R9S13S)-7-[(pyridin-3-yl)methyl]-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]butanoyl}piperazin-2-one

SMILES

O=C(CCC[C@H]1N(Cc2cnccc2)C[C@H](CCC2)[C@@H]3N2CCC[C@H]13)N(CCN1)CC1=O

InChI

InChI=1S/C25H37N5O2/c31-23-18-29(14-11-27-23)24(32)9-1-8-22-21-7-4-13-28-12-3-6-20(25(21)28)17-30(22)16-19-5-2-10-26-15-19/h2,5,10,15,20-22,25H,1,3-4,6-9,11-14,16-18H2,(H,27,31)/t20-,21-,22-,25-/m1/s1

InChI Key

QSWRLSTUQRHLCT-NMOFPLQQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.235

Distribution Coefficient, logD

-1.446

Water Solubility, LogSw

-1.08

Polar Surface Area

57.038

Acid Dissociation Constant (pKa)

15.41

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

72.00

N121-0671 in Drug Discovery

Included in Screening Libraries

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

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with N121-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0671?
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What is the minimum amount of N121-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0671
  • 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 N121-0671 available by request