N109-0052 Screening compound: (1R,2R,9R)-11-[1-(2,4-dimethoxybenzoyl)-4-piperidyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one

N109-0052 Screening compound: (1R,2R,9R)-11-[1-(2,4-dimethoxybenzoyl)-4-piperidyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
N109-0052 Screening compound: (1R,2R,9R)-11-[1-(2,4-dimethoxybenzoyl)-4-piperidyl]-7,11-diazatricyclo[7.3.1.0~2,7~]tridecan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N109-0052
(1R,2R,9R)-11-[1-(2,4-dimethoxybenzoyl)-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

N109-0052

Molecular Formula

C25H35N3O4 (C25 H35 N3 O4)

Compound Name

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

IUPAC name

(1R2R9R)-11-[1-(24-dimethoxybenzoyl)piperidin-4-yl]-711-diazatricyclo[7.3.1.0^{27}]tridecan-6-one

SMILES

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

InChI

InChI=1S/C25H35N3O4/c1-31-20-6-7-21(23(13-20)32-2)25(30)26-10-8-19(9-11-26)27-14-17-12-18(16-27)22-4-3-5-24(29)28(22)15-17/h6-7,13,17-19,22H,3-5,8-12,14-16H2,1-2H3/t17-,18+,22+/m0/s1

InChI Key

KLKWIUPNGKWERR-NJNPRVFISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.170

Distribution Coefficient, logD

-1.046

Water Solubility, LogSw

-2.71

Polar Surface Area

51.388

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

10.62

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

68.00

N109-0052 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 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 N109-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N109-0052?
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What is the minimum amount of N109-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N109-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N109-0052
  • 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 N109-0052 available by request