N108-0095 Screening compound: N~1~-(2,4-difluorobenzyl)-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]acetamide

N108-0095 Screening compound: N~1~-(2,4-difluorobenzyl)-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]acetamide
N108-0095 Screening compound: N~1~-(2,4-difluorobenzyl)-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound N108-0095
N~1~-(2,4-difluorobenzyl)-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-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

N108-0095

Molecular Formula

C20H25F2N3O2 (C20 H25 F2 N3 O2)

Compound Name

N~1~-(2,4-difluorobenzyl)-2-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]tridec-11-yl]acetamide

IUPAC name

N-[(24-difluorophenyl)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(ccc(F)c1)c1F

InChI

InChI=1S/C20H25F2N3O2/c21-16-5-4-14(17(22)7-16)8-23-19(26)12-24-9-13-6-15(11-24)18-2-1-3-20(27)25(18)10-13/h4-5,7,13,15,18H,1-3,6,8-12H2,(H,23,26)/t13-,15+,18+/m0/s1

InChI Key

HYJDIGNXEUWUIN-JCKWVBRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.234

Distribution Coefficient, logD

2.089

Water Solubility, LogSw

-2.71

Polar Surface Area

44.676

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

60.00

N108-0095 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Natural-Product-Based Library (3730 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with N108-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N108-0095?
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What is the minimum amount of N108-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N108-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N108-0095
  • 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 N108-0095 available by request