N109-0058 Screening compound: (1R,2R,9R)-11-[1-(4-chloro-2-methoxybenzoyl)-4-piperidyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N109-0058 Screening compound: (1R,2R,9R)-11-[1-(4-chloro-2-methoxybenzoyl)-4-piperidyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N109-0058 Screening compound: (1R,2R,9R)-11-[1-(4-chloro-2-methoxybenzoyl)-4-piperidyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N109-0058
(1R,2R,9R)-11-[1-(4-chloro-2-methoxybenzoyl)-4-piperidyl]-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

N109-0058

Molecular Formula

C24H32ClN3O3 (C24 H32 ClN3 O3)

Compound Name

(1R,2R,9R)-11-[1-(4-chloro-2-methoxybenzoyl)-4-piperidyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

IUPAC name

(1R2R9R)-11-[1-(4-chloro-2-methoxybenzoyl)piperidin-4-yl]-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

COc(cc(cc1)Cl)c1C(N(CC1)CCC1N(C[C@@H](C1)C2)C[C@@H]1[C@@H](CCC1)N2C1=O)=O

InChI

InChI=1S/C24H32ClN3O3/c1-31-22-12-18(25)5-6-20(22)24(30)26-9-7-19(8-10-26)27-13-16-11-17(15-27)21-3-2-4-23(29)28(21)14-16/h5-6,12,16-17,19,21H,2-4,7-11,13-15H2,1H3/t16-,17+,21+/m0/s1

InChI Key

XMBBAFSPZQUWDZ-CSODHUTKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.083

Distribution Coefficient, logD

-0.133

Water Solubility, LogSw

-3.48

Polar Surface Area

43.844

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

10.62

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

66.67

N109-0058 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with N109-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N109-0058?
Check Price and Availability of N109-0058, 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 N109-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N109-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N109-0058
  • 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 N109-0058 available by request