N121-0885 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-isopropylbutanamide

N121-0885 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-isopropylbutanamide
N121-0885 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-isopropylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0885
4-[(1R,3aS,10aS,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-isopropylbutanamide

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

N121-0885

Molecular Formula

C25H37N3O2 (C25 H37 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(c1ccccc1)=O)=O

InChI

InChI=1S/C25H37N3O2/c1-18(2)26-23(29)14-6-13-22-21-12-8-16-27-15-7-11-20(24(21)27)17-28(22)25(30)19-9-4-3-5-10-19/h3-5,9-10,18,20-22,24H,6-8,11-17H2,1-2H3,(H,26,29)/t20-,21-,22-,24-/m1/s1

InChI Key

KHSYTZVLJNJSCJ-GBEXAXCTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.258

Distribution Coefficient, logD

-0.204

Water Solubility, LogSw

-2.58

Polar Surface Area

42.638

Acid Dissociation Constant (pKa)

15.34

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

68.00

References: we are preparing a list of scientific research reports with N121-0885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0885?
Check Price and Availability of N121-0885, 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 N121-0885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0885
  • 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 N121-0885 available by request