K786-9185 Screening compound: (1R,5R,7S)-3-(2-chlorobenzyl)-N~6~-[2-(2,6-dimethylpiperidino)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxamide

K786-9185 Screening compound: (1R,5R,7S)-3-(2-chlorobenzyl)-N~6~-[2-(2,6-dimethylpiperidino)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxamide
K786-9185 Screening compound: (1R,5R,7S)-3-(2-chlorobenzyl)-N~6~-[2-(2,6-dimethylpiperidino)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9185
(1R,5R,7S)-3-(2-chlorobenzyl)-N~6~-[2-(2,6-dimethylpiperidino)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxamide

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

K786-9185

Molecular Formula

C25H32ClN3O3 (C25 H32 ClN3 O3)

Compound Name

(1R,5R,7S)-3-(2-chlorobenzyl)-N~6~-[2-(2,6-dimethylpiperidino)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxamide

IUPAC name

(5R7S)-3-[(2-chlorophenyl)methyl]-N-[2-(26-dimethylpiperidin-1-yl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-6-carboxamide

SMILES

CC1N(CCNC(C([C@@H]2C(N(Cc(cccc3)c3Cl)C3)=O)[C@@H]4O[C@@]23C=C4)=O)C(C)CCC1

InChI

InChI=1S/C25H32ClN3O3/c1-16-6-5-7-17(2)29(16)13-12-27-23(30)21-20-10-11-25(32-20)15-28(24(31)22(21)25)14-18-8-3-4-9-19(18)26/h3-4,8-11,16-17,20-22H,5-7,12-15H2,1-2H3,(H,27,30)/t16?,17?,20-,21?,22+,25+/m1/s1

InChI Key

BGRSGIWVTLNASZ-HKXYUDSHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.898

Distribution Coefficient, logD

0.590

Water Solubility, LogSw

-3.49

Polar Surface Area

51.340

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

9.71

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

60.00

K786-9185 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with K786-9185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9185?
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What is the minimum amount of K786-9185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9185
  • 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 K786-9185 available by request