N108-0006 Screening compound: 2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-N~1~-phenethylacetamide

N108-0006 Screening compound: 2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-N~1~-phenethylacetamide
N108-0006 Screening compound: 2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-N~1~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N108-0006
2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-N~1~-phenethylacetamide

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

N108-0006

Molecular Formula

C21H29N3O2 (C21 H29 N3 O2)

Compound Name

2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-N~1~-phenethylacetamide

IUPAC name

2-[(1R2R9R)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]tridecan-11-yl]-N-(2-phenylethyl)acetamide

SMILES

O=C(CN(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)NCCc1ccccc1

InChI

InChI=1S/C21H29N3O2/c25-20(22-10-9-16-5-2-1-3-6-16)15-23-12-17-11-18(14-23)19-7-4-8-21(26)24(19)13-17/h1-3,5-6,17-19H,4,7-15H2,(H,22,25)/t17-,18+,19+/m0/s1

InChI Key

ZLOXQYRNPKKWKN-IPMKNSEASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.595

Distribution Coefficient, logD

1.414

Water Solubility, LogSw

-2.05

Polar Surface Area

44.517

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

61.90

N108-0006 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 N108-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N108-0006?
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What is the minimum amount of N108-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N108-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N108-0006
  • 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 N108-0006 available by request