N108-0159 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide

N108-0159 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide
N108-0159 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N108-0159
N-(1,3-benzodioxol-5-ylmethyl)-2-[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide

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

N108-0159

Molecular Formula

C21H27N3O4 (C21 H27 N3 O4)

Compound Name

N-(1,3-benzodioxol-5-ylmethyl)-2-[(1R,11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[(1R2R9R)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]tridecan-11-yl]acetamide

SMILES

O=C(CN(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C21H27N3O4/c25-20(22-8-14-4-5-18-19(7-14)28-13-27-18)12-23-9-15-6-16(11-23)17-2-1-3-21(26)24(17)10-15/h4-5,7,15-17H,1-3,6,8-13H2,(H,22,25)/t15-,16+,17+/m0/s1

InChI Key

FSRKDMLTZJKQCA-GVDBMIGSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.733

Distribution Coefficient, logD

1.588

Water Solubility, LogSw

-2.36

Polar Surface Area

61.791

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

61.90

N108-0159 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with N108-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N108-0159?
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What is the minimum amount of N108-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N108-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N108-0159
  • 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 N108-0159 available by request