N121-0841 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(1-isopropyl-4-piperidyl)ethyl]butanamide

N121-0841 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(1-isopropyl-4-piperidyl)ethyl]butanamide
N121-0841 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(1-isopropyl-4-piperidyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0841
4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(1-isopropyl-4-piperidyl)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

N121-0841

Molecular Formula

C27H48N4O2 (C27 H48 N4 O2)

Compound Name

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

IUPAC name

4-[(5R6R9S13S)-7-acetyl-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-N-{2-[1-(propan-2-yl)piperidin-4-yl]ethyl}butanamide

SMILES

CC(C)N1CCC(CCNC(CCC[C@H]([C@@H]2[C@H]([C@@H](CCC3)C4)N3CCC2)N4C(C)=O)=O)CC1

InChI

InChI=1S/C27H48N4O2/c1-20(2)29-17-12-22(13-18-29)11-14-28-26(33)10-4-9-25-24-8-6-16-30-15-5-7-23(27(24)30)19-31(25)21(3)32/h20,22-25,27H,4-19H2,1-3H3,(H,28,33)/t23-,24-,25-,27-/m1/s1

InChI Key

DPBQYCHNJNVFGF-DLGLWYJGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.7

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

1.487

Distribution Coefficient, logD

-1.091

Water Solubility, LogSw

-1.79

Polar Surface Area

48.030

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

92.59

References: we are preparing a list of scientific research reports with N121-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0841?
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What is the minimum amount of N121-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0841
  • 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 N121-0841 available by request