N121-0771 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide

N121-0771 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
N121-0771 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0771
4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(5-methoxy-1H-indol-3-yl)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

N121-0771

Molecular Formula

C28H40N4O3 (C28 H40 N4 O3)

Compound Name

4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide

IUPAC name

4-[(5R6R9S13S)-7-acetyl-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide

SMILES

CC(N(C[C@@H]1CCC2)[C@H](CCCC(NCCc3c[nH]c(cc4)c3cc4OC)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C28H40N4O3/c1-19(33)32-18-21-6-4-14-31-15-5-7-23(28(21)31)26(32)8-3-9-27(34)29-13-12-20-17-30-25-11-10-22(35-2)16-24(20)25/h10-11,16-17,21,23,26,28,30H,3-9,12-15,18H2,1-2H3,(H,29,34)/t21-,23-,26-,28-/m1/s1

InChI Key

YGOAIPGANRERBZ-CGMQEPJLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.692

Distribution Coefficient, logD

-0.885

Water Solubility, LogSw

-2.22

Polar Surface Area

61.388

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

64.29

N121-0771 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with N121-0771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0771?
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What is the minimum amount of N121-0771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0771
  • 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 N121-0771 available by request