N106-1217 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-ethoxybenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-benzylbutanamide

N106-1217 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-ethoxybenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-benzylbutanamide
N106-1217 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-ethoxybenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-benzylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-1217
4-[(1R,3aS,10aS,10bS)-2-(2-ethoxybenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-benzylbutanamide

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

N106-1217

Molecular Formula

C31H41N3O3 (C31 H41 N3 O3)

Compound Name

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

IUPAC name

N-benzyl-4-[(5R6R9S13S)-7-(2-ethoxybenzoyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]butanamide

SMILES

CCOc(cccc1)c1C(N(C[C@@H]1CCC2)[C@H](CCCC(NCc3ccccc3)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C31H41N3O3/c1-2-37-28-17-7-6-14-26(28)31(36)34-22-24-13-9-19-33-20-10-15-25(30(24)33)27(34)16-8-18-29(35)32-21-23-11-4-3-5-12-23/h3-7,11-12,14,17,24-25,27,30H,2,8-10,13,15-16,18-22H2,1H3,(H,32,35)/t24-,25-,27-,30-/m1/s1

InChI Key

JXTGQZTYDDVEPO-QNYAKKFESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.406

Distribution Coefficient, logD

0.944

Water Solubility, LogSw

-3.70

Polar Surface Area

50.603

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

54.84

N106-1217 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with N106-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-1217?
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What is the minimum amount of N106-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-1217
  • 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 N106-1217 available by request