N121-0653 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(4-pyridyl)ethyl]butanamide

N121-0653 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(4-pyridyl)ethyl]butanamide
N121-0653 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(4-pyridyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0653
4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(4-pyridyl)ethyl]butanamide

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

N121-0653

Molecular Formula

C28H39N5O (C28 H39 N5 O)

Compound Name

4-[(1R,3aS,10aS,10bS)-2-(3-pyridylmethyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(4-pyridyl)ethyl]butanamide

IUPAC name

4-[(5R6R9S13S)-7-[(pyridin-3-yl)methyl]-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-N-[2-(pyridin-4-yl)ethyl]butanamide

SMILES

O=C(CCC[C@H]1N(Cc2cnccc2)C[C@H](CCC2)[C@@H]3N2CCC[C@H]13)NCCc1ccncc1

InChI

InChI=1S/C28H39N5O/c34-27(31-16-12-22-10-14-29-15-11-22)9-1-8-26-25-7-4-18-32-17-3-6-24(28(25)32)21-33(26)20-23-5-2-13-30-19-23/h2,5,10-11,13-15,19,24-26,28H,1,3-4,6-9,12,16-18,20-21H2,(H,31,34)/t24-,25-,26-,28-/m1/s1

InChI Key

QTIRLCWTHALXJM-IYUNARRTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.559

Distribution Coefficient, logD

-0.651

Water Solubility, LogSw

-1.21

Polar Surface Area

49.430

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

60.71

N121-0653 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with N121-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0653?
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What is the minimum amount of N121-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0653
  • 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 N121-0653 available by request