N106-1133 Screening compound: (1R,3aS,10aS,10bS)-1-(4-anilino-4-oxobutyl)-N~2~-(2-methoxy-5-methylphenyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide

N106-1133 Screening compound: (1R,3aS,10aS,10bS)-1-(4-anilino-4-oxobutyl)-N~2~-(2-methoxy-5-methylphenyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide
N106-1133 Screening compound: (1R,3aS,10aS,10bS)-1-(4-anilino-4-oxobutyl)-N~2~-(2-methoxy-5-methylphenyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-1133
(1R,3aS,10aS,10bS)-1-(4-anilino-4-oxobutyl)-N~2~-(2-methoxy-5-methylphenyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide

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

N106-1133

Molecular Formula

C30H40N4O3 (C30 H40 N4 O3)

Compound Name

(1R,3aS,10aS,10bS)-1-(4-anilino-4-oxobutyl)-N~2~-(2-methoxy-5-methylphenyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide

IUPAC name

(5R6R9S13S)-N-(2-methoxy-5-methylphenyl)-6-[3-(phenylcarbamoyl)propyl]-17-diazatricyclo[7.3.1.0^{513}]tridecane-7-carboxamide

SMILES

Cc(cc1)cc(NC(N(C[C@@H]2CCC3)[C@H](CCCC(Nc4ccccc4)=O)[C@@H]4[C@H]2N3CCC4)=O)c1OC

InChI

InChI=1S/C30H40N4O3/c1-21-15-16-27(37-2)25(19-21)32-30(36)34-20-22-9-7-17-33-18-8-12-24(29(22)33)26(34)13-6-14-28(35)31-23-10-4-3-5-11-23/h3-5,10-11,15-16,19,22,24,26,29H,6-9,12-14,17-18,20H2,1-2H3,(H,31,35)(H,32,36)/t22-,24-,26-,29-/m1/s1

InChI Key

JJWOYPGVFPTSMZ-QWMYHGHOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.67

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

3.660

Distribution Coefficient, logD

1.457

Water Solubility, LogSw

-3.79

Polar Surface Area

57.824

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

53.33

N106-1133 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with N106-1133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-1133?
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What is the minimum amount of N106-1133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-1133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-1133
  • 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 N106-1133 available by request