N121-0981 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-ethyl-N~1~-[(1-ethyl-1H-pyrazol-4-yl)methyl]butanamide

N121-0981 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-ethyl-N~1~-[(1-ethyl-1H-pyrazol-4-yl)methyl]butanamide
N121-0981 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-ethyl-N~1~-[(1-ethyl-1H-pyrazol-4-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0981
4-[(1R,3aS,10aS,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-ethyl-N~1~-[(1-ethyl-1H-pyrazol-4-yl)methyl]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

N121-0981

Molecular Formula

C30H43N5O2 (C30 H43 N5 O2)

Compound Name

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

IUPAC name

4-[(5R6R9S13S)-7-benzoyl-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]butanamide

SMILES

CCN(Cc1cn(CC)nc1)C(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(c1ccccc1)=O)=O

InChI

InChI=1S/C30H43N5O2/c1-3-32(20-23-19-31-34(4-2)21-23)28(36)16-8-15-27-26-14-10-18-33-17-9-13-25(29(26)33)22-35(27)30(37)24-11-6-5-7-12-24/h5-7,11-12,19,21,25-27,29H,3-4,8-10,13-18,20,22H2,1-2H3/t25-,26-,27-,29-/m1/s1

InChI Key

UNWGHMVLTMSEEU-LTGLEFCMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.249

Distribution Coefficient, logD

-0.212

Water Solubility, LogSw

-2.31

Polar Surface Area

49.103

Acid Dissociation Constant (pKa)

23.89

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

63.33

References: we are preparing a list of scientific research reports with N121-0981 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0981
  • 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 N121-0981 available by request