N121-0862 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[3-(4-phenylpiperazino)propyl]butanamide

N121-0862 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[3-(4-phenylpiperazino)propyl]butanamide
N121-0862 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[3-(4-phenylpiperazino)propyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0862
4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[3-(4-phenylpiperazino)propyl]butanamide

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

N121-0862

Molecular Formula

C30H47N5O2 (C30 H47 N5 O2)

Compound Name

4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[3-(4-phenylpiperazino)propyl]butanamide

IUPAC name

4-[(5R6R9S13S)-7-acetyl-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide

SMILES

CC(N(C[C@@H]1CCC2)[C@H](CCCC(NCCCN(CC3)CCN3c3ccccc3)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C30H47N5O2/c1-24(36)35-23-25-9-6-17-34-18-7-12-27(30(25)34)28(35)13-5-14-29(37)31-15-8-16-32-19-21-33(22-20-32)26-10-3-2-4-11-26/h2-4,10-11,25,27-28,30H,5-9,12-23H2,1H3,(H,31,37)/t25-,27-,28-,30-/m1/s1

InChI Key

FXSNMEZQEZTKFN-MZAPLOMJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.314

Distribution Coefficient, logD

-1.263

Water Solubility, LogSw

-1.95

Polar Surface Area

51.216

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

73.33

References: we are preparing a list of scientific research reports with N121-0862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0862?
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What is the minimum amount of N121-0862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0862
  • 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 N121-0862 available by request