N108-0167 Screening compound: (1R,2R,9R)-11-[2-oxo-2-(4-phenylpiperazino)ethyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N108-0167 Screening compound: (1R,2R,9R)-11-[2-oxo-2-(4-phenylpiperazino)ethyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N108-0167 Screening compound: (1R,2R,9R)-11-[2-oxo-2-(4-phenylpiperazino)ethyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N108-0167
(1R,2R,9R)-11-[2-oxo-2-(4-phenylpiperazino)ethyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

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

N108-0167

Molecular Formula

C23H32N4O2 (C23 H32 N4 O2)

Compound Name

(1R,2R,9R)-11-[2-oxo-2-(4-phenylpiperazino)ethyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

IUPAC name

(1R2R9R)-11-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

O=C(CN(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C23H32N4O2/c28-22-8-4-7-21-19-13-18(15-27(21)22)14-24(16-19)17-23(29)26-11-9-25(10-12-26)20-5-2-1-3-6-20/h1-3,5-6,18-19,21H,4,7-17H2/t18-,19+,21+/m0/s1

InChI Key

RRPPDHBBGARTOX-QKNQBKEWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.369

Distribution Coefficient, logD

1.261

Water Solubility, LogSw

-1.99

Polar Surface Area

39.857

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

65.22

N108-0167 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 N108-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N108-0167?
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What is the minimum amount of N108-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N108-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N108-0167
  • 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 N108-0167 available by request