N106-0349 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[4-(trifluoromethyl)benzoyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-morpholino-1-butanone

N106-0349 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[4-(trifluoromethyl)benzoyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}-1-morpholino-1-butanone
N106-0349 Screening compound: 4-{(1R,3aS,10aS,10bS)-2-[4-(trifluoromethyl)benzoyl]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 N106-0349
4-{(1R,3aS,10aS,10bS)-2-[4-(trifluoromethyl)benzoyl]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

N106-0349

Molecular Formula

C27H36F3N3O3 (C27 H36 F3 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(c1ccc(C(F)(F)F)cc1)=O)N1CCOCC1

InChI

InChI=1S/C27H36F3N3O3/c28-27(29,30)21-10-8-19(9-11-21)26(35)33-18-20-4-2-12-32-13-3-5-22(25(20)32)23(33)6-1-7-24(34)31-14-16-36-17-15-31/h8-11,20,22-23,25H,1-7,12-18H2/t20-,22-,23-,25-/m1/s1

InChI Key

RQHLPVNEFKBQFR-HBAHCVPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.575

Distribution Coefficient, logD

0.113

Water Solubility, LogSw

-2.67

Polar Surface Area

43.222

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

70.37

N106-0349 in Drug Discovery

Included in Screening Libraries

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 N106-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0349?
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What is the minimum amount of N106-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0349
  • 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 N106-0349 available by request