N121-0553 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(3-methoxypropyl)butanamide

N121-0553 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(3-methoxypropyl)butanamide
N121-0553 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(3-methoxypropyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0553
4-[(1R,3aS,10aS,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(3-methoxypropyl)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

N121-0553

Molecular Formula

C26H41N3O2 (C26 H41 N3 O2)

Compound Name

4-[(1R,3aS,10aS,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(3-methoxypropyl)butanamide

IUPAC name

4-[(5R6R9S13S)-7-benzyl-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-N-(3-methoxypropyl)butanamide

SMILES

COCCCNC(CCC[C@H]1N(Cc2ccccc2)C[C@H](CCC2)[C@@H]3N2CCC[C@H]13)=O

InChI

InChI=1S/C26H41N3O2/c1-31-18-8-15-27-25(30)14-5-13-24-23-12-7-17-28-16-6-11-22(26(23)28)20-29(24)19-21-9-3-2-4-10-21/h2-4,9-10,22-24,26H,5-8,11-20H2,1H3,(H,27,30)/t22-,23-,24-,26-/m1/s1

InChI Key

QQCGXINBACUPDP-PMHJDTQVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.987

Distribution Coefficient, logD

0.777

Water Solubility, LogSw

-2.36

Polar Surface Area

39.098

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

73.08

References: we are preparing a list of scientific research reports with N121-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0553?
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What is the minimum amount of N121-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0553
  • 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 N121-0553 available by request