N115-0046 Screening compound: (1R2R9R)-11-{5-[4-(4-CHLOROPHENYL)PIPERAZINE-1-CARBONYL]PYRIDIN-2-YL}-711-DIAZATRICYCLO[7.3.1.0{27}]TRIDECAN-6-ONE

N115-0046 Screening compound: (1R2R9R)-11-{5-[4-(4-CHLOROPHENYL)PIPERAZINE-1-CARBONYL]PYRIDIN-2-YL}-711-DIAZATRICYCLO[7.3.1.0{27}]TRIDECAN-6-ONE
N115-0046 Screening compound: (1R2R9R)-11-{5-[4-(4-CHLOROPHENYL)PIPERAZINE-1-CARBONYL]PYRIDIN-2-YL}-711-DIAZATRICYCLO[7.3.1.0{27}]TRIDECAN-6-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound N115-0046
(1R2R9R)-11-{5-[4-(4-CHLOROPHENYL)PIPERAZINE-1-CARBONYL]PYRIDIN-2-YL}-711-DIAZATRICYCLO[7.3.1.0{27}]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

N115-0046

Molecular Formula

C27H32ClN5O2 (C27 H32 ClN5 O2)

Compound Name

(1R2R9R)-11-{5-[4-(4-CHLOROPHENYL)PIPERAZINE-1-CARBONYL]PYRIDIN-2-YL}-711-DIAZATRICYCLO[7.3.1.0{27}]TRIDECAN-6-ONE

IUPAC name

n/a

SMILES

O=C(c(cc1)cnc1N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)N(CC1)CCN1c(cc1)ccc1Cl

InChI

InChI=1S/C27H32ClN5O2/c28-22-5-7-23(8-6-22)30-10-12-31(13-11-30)27(35)20-4-9-25(29-15-20)32-16-19-14-21(18-32)24-2-1-3-26(34)33(24)17-19/h4-9,15,19,21,24H,1-3,10-14,16-18H2/t19-,21+,24+/m0/s1

InChI Key

IEFHUHOZISHZAI-XZDHIHRUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.546

Distribution Coefficient, logD

3.546

Water Solubility, LogSw

-3.86

Polar Surface Area

48.434

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

51.90

N115-0046 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 N115-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N115-0046?
Check Price and Availability of N115-0046, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of N115-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N115-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N115-0046
  • 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 N115-0046 available by request