N121-0742 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-cyclohexylbutanamide

N121-0742 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-cyclohexylbutanamide
N121-0742 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-cyclohexylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0742
4-[(1R,3aS,10aS,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-cyclohexylbutanamide

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

N121-0742

Molecular Formula

C23H39N3O2 (C23 H39 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~-cyclohexylbutanamide

IUPAC name

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

SMILES

CC(N(C[C@@H]1CCC2)[C@H](CCCC(NC3CCCCC3)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C23H39N3O2/c1-17(27)26-16-18-8-6-14-25-15-7-11-20(23(18)25)21(26)12-5-13-22(28)24-19-9-3-2-4-10-19/h18-21,23H,2-16H2,1H3,(H,24,28)/t18-,20-,21-,23-/m1/s1

InChI Key

QRZTWWSJFHTAMS-KTDPBYDISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.892

Distribution Coefficient, logD

-0.686

Water Solubility, LogSw

-2.30

Polar Surface Area

43.857

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

91.30

N121-0742 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with N121-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0742?
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What is the minimum amount of N121-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0742
  • 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 N121-0742 available by request