N106-0342 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(cyclopropylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone

N106-0342 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(cyclopropylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone
N106-0342 Screening compound: 4-[(1R,3aS,10aS,10bS)-2-(cyclopropylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound N106-0342
4-[(1R,3aS,10aS,10bS)-2-(cyclopropylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone

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

N106-0342

Molecular Formula

C23H37N3O3 (C23 H37 N3 O3)

Compound Name

4-[(1R,3aS,10aS,10bS)-2-(cyclopropylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-morpholino-1-butanone

IUPAC name

4-[(5R6R9S13S)-7-cyclopropanecarbonyl-17-diazatricyclo[7.3.1.0^{513}]tridecan-6-yl]-1-(morpholin-4-yl)butan-1-one

SMILES

O=C(CCC[C@H]([C@@H]1[C@H]([C@@H](CCC2)C3)N2CCC1)N3C(C1CC1)=O)N1CCOCC1

InChI

InChI=1S/C23H37N3O3/c27-21(24-12-14-29-15-13-24)7-1-6-20-19-5-3-11-25-10-2-4-18(22(19)25)16-26(20)23(28)17-8-9-17/h17-20,22H,1-16H2/t18-,19-,20-,22-/m1/s1

InChI Key

UDKXDIWLWQXRHW-NXLVEIQXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.917

Distribution Coefficient, logD

-1.660

Water Solubility, LogSw

-0.99

Polar Surface Area

43.745

Acid Dissociation Constant (pKa)

23.49

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

91.30

N106-0342 in Drug Discovery

Included in Screening Libraries

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 N106-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N106-0342?
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What is the minimum amount of N106-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N106-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N106-0342
  • 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 N106-0342 available by request