N121-0998 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(3-morpholinopropyl)butanamide

N121-0998 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(3-morpholinopropyl)butanamide
N121-0998 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(3-morpholinopropyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0998
4-[(1R,3aS,10aS,10bS)-2-(3-pyridylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-(3-morpholinopropyl)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

N121-0998

Molecular Formula

C28H43N5O3 (C28 H43 N5 O3)

Compound Name

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

IUPAC name

N-[3-(morpholin-4-yl)propyl]-4-[(5R6R9S13S)-7-(pyridine-3-carbonyl)-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]butanamide

SMILES

O=C(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(c1cnccc1)=O)NCCCN1CCOCC1

InChI

InChI=1S/C28H43N5O3/c34-26(30-12-5-13-31-16-18-36-19-17-31)10-1-9-25-24-8-4-15-32-14-3-7-23(27(24)32)21-33(25)28(35)22-6-2-11-29-20-22/h2,6,11,20,23-25,27H,1,3-5,7-10,12-19,21H2,(H,30,34)/t23-,24-,25-,27-/m1/s1

InChI Key

CTBOQFSJYSAIHM-DLGLWYJGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.101

Distribution Coefficient, logD

-2.562

Water Solubility, LogSw

-0.90

Polar Surface Area

64.643

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

75.00

References: we are preparing a list of scientific research reports with N121-0998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0998?
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What is the minimum amount of N121-0998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0998
  • 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 N121-0998 available by request