N106-0744 Screening compound: 4-[(1R,3aS,10aR,10bS)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)butanamide

N106-0744 Screening compound: 4-[(1R,3aS,10aR,10bS)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(cyclopropylmethyl)butanamide
N106-0744 Screening compound: 4-[(1R,3aS,10aR,10bS)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 N106-0744
4-[(1R,3aS,10aR,10bS)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

N106-0744

Molecular Formula

C19H33N3O (C19 H33 N3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC[C@H]1NC[C@H](CCC2)[C@@H]3N2CCC[C@H]13)NCC1CC1

InChI

InChI=1S/C19H33N3O/c23-18(21-12-14-8-9-14)7-1-6-17-16-5-3-11-22-10-2-4-15(13-20-17)19(16)22/h14-17,19-20H,1-13H2,(H,21,23)/t15-,16-,17-,19-/m1/s1

InChI Key

RBPYANLXIFWWSE-YWTNHNAXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.007

Distribution Coefficient, logD

-1.208

Water Solubility, LogSw

-1.51

Polar Surface Area

40.364

Acid Dissociation Constant (pKa)

15.92

Base Dissociation Constant (pKb)

9.61

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

94.74

N106-0744 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with N106-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0744?
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What is the minimum amount of N106-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0744
  • 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 N106-0744 available by request