N108-0097 Screening compound: 2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-N~1~-[3-(trifluoromethyl)benzyl]acetamide

N108-0097 Screening compound: 2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-N~1~-[3-(trifluoromethyl)benzyl]acetamide
N108-0097 Screening compound: 2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-N~1~-[3-(trifluoromethyl)benzyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N108-0097
2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-N~1~-[3-(trifluoromethyl)benzyl]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

N108-0097

Molecular Formula

C21H26F3N3O2 (C21 H26 F3 N3 O2)

Compound Name

2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]-N~1~-[3-(trifluoromethyl)benzyl]acetamide

IUPAC name

2-[(1R2R9R)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]tridecan-11-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide

SMILES

O=C(CN(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)NCc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C21H26F3N3O2/c22-21(23,24)17-4-1-3-14(8-17)9-25-19(28)13-26-10-15-7-16(12-26)18-5-2-6-20(29)27(18)11-15/h1,3-4,8,15-16,18H,2,5-7,9-13H2,(H,25,28)/t15-,16+,18+/m0/s1

InChI Key

KAFZRWFHVLNMCY-LZLYRXPVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.45

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

2.619

Distribution Coefficient, logD

2.474

Water Solubility, LogSw

-2.86

Polar Surface Area

44.676

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

61.90

N108-0097 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with N108-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N108-0097?
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What is the minimum amount of N108-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N108-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N108-0097
  • 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 N108-0097 available by request