N106-0495 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone

N106-0495 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone
N106-0495 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-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 N106-0495
4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-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

N106-0495

Molecular Formula

C21H35N3O3 (C21 H35 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H35N3O3/c1-16(25)24-15-17-5-3-9-23-10-4-6-18(21(17)23)19(24)7-2-8-20(26)22-11-13-27-14-12-22/h17-19,21H,2-15H2,1H3/t17-,18-,19-,21-/m1/s1

InChI Key

JKWFPNQISLYKJM-ANTGDGSKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.094

Distribution Coefficient, logD

-2.484

Water Solubility, LogSw

-0.34

Polar Surface Area

43.962

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

90.48

References: we are preparing a list of scientific research reports with N106-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0495?
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What is the minimum amount of N106-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0495
  • 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 N106-0495 available by request