N106-1903 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(cyclopropylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-methylbutanamide

N106-1903 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(cyclopropylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-methylbutanamide
N106-1903 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(cyclopropylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-1903
4-[(1R,3aS,10aS,10bS)-2-(cyclopropylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-methylbutanamide

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

N106-1903

Molecular Formula

C20H33N3O2 (C20 H33 N3 O2)

Compound Name

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

IUPAC name

4-[(5R6R9S13S)-7-cyclopropanecarbonyl-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-N-methylbutanamide

SMILES

CNC(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(C1CC1)=O)=O

InChI

InChI=1S/C20H33N3O2/c1-21-18(24)8-2-7-17-16-6-4-12-22-11-3-5-15(19(16)22)13-23(17)20(25)14-9-10-14/h14-17,19H,2-13H2,1H3,(H,21,24)/t15-,16-,17-,19-/m1/s1

InChI Key

WIXCVDFZLLVFSY-YWTNHNAXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.600

Distribution Coefficient, logD

-1.977

Water Solubility, LogSw

-1.10

Polar Surface Area

44.338

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

90.00

N106-1903 in Drug Discovery

Included in Screening Libraries

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

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 N106-1903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-1903?
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What is the minimum amount of N106-1903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-1903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-1903
  • 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 N106-1903 available by request