N121-0608 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(2-methyl-1H-imidazol-1-yl)ethyl]butanamide

N121-0608 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(2-methyl-1H-imidazol-1-yl)ethyl]butanamide
N121-0608 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(2-methyl-1H-imidazol-1-yl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N121-0608
4-[(1R,3aS,10aS,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N~1~-[2-(2-methyl-1H-imidazol-1-yl)ethyl]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

N121-0608

Molecular Formula

C28H41N5O (C28 H41 N5 O)

Compound Name

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

IUPAC name

4-[(5R6R9S13S)-7-benzyl-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]butanamide

SMILES

Cc1nccn1CCNC(CCC[C@H]1N(Cc2ccccc2)C[C@H](CCC2)[C@@H]3N2CCC[C@H]13)=O

InChI

InChI=1S/C28H41N5O/c1-22-29-14-18-31(22)19-15-30-27(34)13-5-12-26-25-11-7-17-32-16-6-10-24(28(25)32)21-33(26)20-23-8-3-2-4-9-23/h2-4,8-9,14,18,24-26,28H,5-7,10-13,15-17,19-21H2,1H3,(H,30,34)/t24-,25-,26-,28-/m1/s1

InChI Key

QWEGNLTVPKCMMK-IYUNARRTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.421

Distribution Coefficient, logD

0.211

Water Solubility, LogSw

-2.19

Polar Surface Area

43.021

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

64.29

N121-0608 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with N121-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N121-0608?
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What is the minimum amount of N121-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N121-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N121-0608
  • 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 N121-0608 available by request