N106-0319 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-methoxyacetyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone

N106-0319 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-methoxyacetyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone
N106-0319 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-methoxyacetyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-0319
4-[(1R,3aS,10aS,10bS)-2-(2-methoxyacetyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone

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

N106-0319

Molecular Formula

C22H37N3O4 (C22 H37 N3 O4)

Compound Name

4-[(1R,3aS,10aS,10bS)-2-(2-methoxyacetyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone

IUPAC name

4-[(5R6R9S13S)-7-(2-methoxyacetyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-1-(morpholin-4-yl)butan-1-one

SMILES

COCC(N(C[C@@H]1CCC2)[C@H](CCCC(N3CCOCC3)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C22H37N3O4/c1-28-16-21(27)25-15-17-5-3-9-24-10-4-6-18(22(17)24)19(25)7-2-8-20(26)23-11-13-29-14-12-23/h17-19,22H,2-16H2,1H3/t17-,18-,19-,22-/m1/s1

InChI Key

PKCAVXUWFTVQRN-JPAWQOSXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.118

Distribution Coefficient, logD

-2.696

Water Solubility, LogSw

-0.18

Polar Surface Area

51.390

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

90.91

References: we are preparing a list of scientific research reports with N106-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0319?
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What is the minimum amount of N106-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0319
  • 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 N106-0319 available by request