N121-0796 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-isobutylbutanamide

N121-0796 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-isobutylbutanamide
N121-0796 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-isobutylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0796
4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-isobutylbutanamide

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

N121-0796

Molecular Formula

C21H37N3O2 (C21 H37 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H37N3O2/c1-15(2)13-22-20(26)10-4-9-19-18-8-6-12-23-11-5-7-17(21(18)23)14-24(19)16(3)25/h15,17-19,21H,4-14H2,1-3H3,(H,22,26)/t17-,18-,19-,21-/m1/s1

InChI Key

AWPAPMFBXAFNSM-ANTGDGSKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.54

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

1.037

Distribution Coefficient, logD

-1.540

Water Solubility, LogSw

-1.56

Polar Surface Area

44.404

Acid Dissociation Constant (pKa)

15.92

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

90.48

References: we are preparing a list of scientific research reports with N121-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0796?
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What is the minimum amount of N121-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0796
  • 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 N121-0796 available by request