N106-1000 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-ethoxyacetyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-phenylbutanamide

N106-1000 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-ethoxyacetyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-phenylbutanamide
N106-1000 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(2-ethoxyacetyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-1000
4-[(1R,3aS,10aS,10bS)-2-(2-ethoxyacetyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-phenylbutanamide

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

N106-1000

Molecular Formula

C25H37N3O3 (C25 H37 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOCC(N(C[C@@H]1CCC2)[C@H](CCCC(Nc3ccccc3)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C25H37N3O3/c1-2-31-18-24(30)28-17-19-9-7-15-27-16-8-12-21(25(19)27)22(28)13-6-14-23(29)26-20-10-4-3-5-11-20/h3-5,10-11,19,21-22,25H,2,6-9,12-18H2,1H3,(H,26,29)/t19-,21-,22-,25-/m1/s1

InChI Key

CJOMCPMVUYWABJ-PTGPVQHPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.832

Distribution Coefficient, logD

-0.745

Water Solubility, LogSw

-2.27

Polar Surface Area

49.873

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

68.00

N106-1000 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with N106-1000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-1000?
Check Price and Availability of N106-1000, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of N106-1000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-1000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-1000
  • 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 N106-1000 available by request