N106-0854 Screening compound: (1R,3aS,10aS,10bS)-1-{4-[(cyclopropylmethyl)amino]-4-oxobutyl}-N~2~-methyloctahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide

N106-0854 Screening compound: (1R,3aS,10aS,10bS)-1-{4-[(cyclopropylmethyl)amino]-4-oxobutyl}-N~2~-methyloctahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide
N106-0854 Screening compound: (1R,3aS,10aS,10bS)-1-{4-[(cyclopropylmethyl)amino]-4-oxobutyl}-N~2~-methyloctahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-0854
(1R,3aS,10aS,10bS)-1-{4-[(cyclopropylmethyl)amino]-4-oxobutyl}-N~2~-methyloctahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide

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

N106-0854

Molecular Formula

C21H36N4O2 (C21 H36 N4 O2)

Compound Name

(1R,3aS,10aS,10bS)-1-{4-[(cyclopropylmethyl)amino]-4-oxobutyl}-N~2~-methyloctahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide

IUPAC name

(5R6R9S13S)-6-{3-[(cyclopropylmethyl)carbamoyl]propyl}-N-methyl-17-diazatricyclo[7.3.1.0^{513}]tridecane-7-carboxamide

SMILES

CNC(N(C[C@@H]1CCC2)[C@H](CCCC(NCC3CC3)=O)[C@@H]3[C@H]1N2CCC3)=O

InChI

InChI=1S/C21H36N4O2/c1-22-21(27)25-14-16-5-3-11-24-12-4-6-17(20(16)24)18(25)7-2-8-19(26)23-13-15-9-10-15/h15-18,20H,2-14H2,1H3,(H,22,27)(H,23,26)/t16-,17-,18-,20-/m1/s1

InChI Key

UBHVUVBIZUUPJJ-SOAMZJECSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.033

Distribution Coefficient, logD

-1.170

Water Solubility, LogSw

-1.68

Polar Surface Area

54.481

Acid Dissociation Constant (pKa)

15.92

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

90.48

References: we are preparing a list of scientific research reports with N106-0854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0854?
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What is the minimum amount of N106-0854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0854
  • 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 N106-0854 available by request