N121-0969 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(1-methyl-1H-1,3-benzimidazol-2-yl)ethyl]butanamide

Chemical Structure Depiction of ChemDiv screening compound N121-0969
4-[(1R,3aS,10aS,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(1-methyl-1H-1,3-benzimidazol-2-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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

N121-0969

Molecular Formula

C₃₂H₄₁N₅O₂ (C32 H41 N5 O2)

Compound Name

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

IUPAC name

4-[(5R6R9S13S)-7-benzoyl-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-N-[2-(1-methyl-1H-13-benzodiazol-2-yl)ethyl]butanamide

SMILES

Cn1c(cccc2)c2nc1CCNC(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(c1ccccc1)=O)=O

InChI

InChI=1S/C32H41N5O2/c1-35-28-15-6-5-14-26(28)34-29(35)18-19-33-30(38)17-7-16-27-25-13-9-21-36-20-8-12-24(31(25)36)22-37(27)32(39)23-10-3-2-4-11-23/h2-6,10-11,14-15,24-25,27,31H,7-9,12-13,16-22H2,1H3,(H,33,38)/t24-,25-,27-,31-/m1/s1

InChI Key

IAHOMQZZUCOEJY-VLVHCFGSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

0.138

Water Solubility, LogSw

-2.92

Polar Surface Area

55.221

Acid Dissociation Constant (pK_a)

14.52

Base Dissociation Constant (pK_b)

9.86

Number of Chiral Centers

4.00

Percent sp³ carbon bonding

53.13

N121-0969 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Natural-Product-Based Library (3730 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Nervous system
Antiviral
Infections
Immune system
Cancer
Nervous system
Hemic and lymphatic
Endocrine
Immune system
Nervous system
Cardiovascular

Structure:

Pool
Mimetics

Mechanism of action:

PPI modulators
Epigenetic

Targets:

Ion Channels

References: we are preparing a list of scientific research reports with N121-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0969?
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What is the minimum amount of N121-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for N121-0969
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for N121-0969

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 N121-0969 available by request