N108-0060 Screening compound: (1R,2R,9R)-11-{2-[4-(5-chloro-2-methylphenyl)piperazino]-2-oxoethyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N108-0060 Screening compound: (1R,2R,9R)-11-{2-[4-(5-chloro-2-methylphenyl)piperazino]-2-oxoethyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N108-0060 Screening compound: (1R,2R,9R)-11-{2-[4-(5-chloro-2-methylphenyl)piperazino]-2-oxoethyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N108-0060
(1R,2R,9R)-11-{2-[4-(5-chloro-2-methylphenyl)piperazino]-2-oxoethyl}-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

N108-0060

Molecular Formula

C24H33ClN4O2 (C24 H33 ClN4 O2)

Compound Name

(1R,2R,9R)-11-{2-[4-(5-chloro-2-methylphenyl)piperazino]-2-oxoethyl}-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

IUPAC name

(1R2R9R)-11-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(CN(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O

InChI

InChI=1S/C24H33ClN4O2/c1-17-5-6-20(25)12-22(17)27-7-9-28(10-8-27)24(31)16-26-13-18-11-19(15-26)21-3-2-4-23(30)29(21)14-18/h5-6,12,18-19,21H,2-4,7-11,13-16H2,1H3/t18-,19+,21+/m0/s1

InChI Key

HTOWLFDABFVHIM-QKNQBKEWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445

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

2.652

Distribution Coefficient, logD

2.544

Water Solubility, LogSw

-3.32

Polar Surface Area

39.556

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

66.67

N108-0060 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 N108-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N108-0060?
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What is the minimum amount of N108-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N108-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N108-0060
  • 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 N108-0060 available by request