N106-0612 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-methoxyacetyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)butanamide

N106-0612 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-methoxyacetyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)butanamide
N106-0612 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-methoxyacetyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-0612
4-[(1R,3aS,10aS,10bS)-2-(2-methoxyacetyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)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

N106-0612

Molecular Formula

C22H37N3O3 (C22 H37 N3 O3)

Compound Name

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

IUPAC name

N-(cyclopropylmethyl)-4-[(5R6R9S13S)-7-(2-methoxyacetyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]butanamide

SMILES

COCC(N(C[C@@H]1CCC2)[C@H](CCCC(NCC3CC3)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C22H37N3O3/c1-28-15-21(27)25-14-17-5-3-11-24-12-4-6-18(22(17)24)19(25)7-2-8-20(26)23-13-16-9-10-16/h16-19,22H,2-15H2,1H3,(H,23,26)/t17-,18-,19-,22-/m1/s1

InChI Key

NRYPTIQGYKENFN-JPAWQOSXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.55

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

0.571

Distribution Coefficient, logD

-2.007

Water Solubility, LogSw

-1.09

Polar Surface Area

52.084

Acid Dissociation Constant (pKa)

15.92

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

90.91

N106-0612 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS MPO Library (28609 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with N106-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0612?
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What is the minimum amount of N106-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0612
  • 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 N106-0612 available by request