C123-0421 Screening compound: (5S7R)-3-[(2-CHLOROPHENYL)METHYL]-N-CYCLOOCTYL-4-OXO-10-OXA-3-AZATRICYCLO[5.2.1.0{15}]DEC-8-ENE-6-CARBOXAMIDE

C123-0421 Screening compound: (5S7R)-3-[(2-CHLOROPHENYL)METHYL]-N-CYCLOOCTYL-4-OXO-10-OXA-3-AZATRICYCLO[5.2.1.0{15}]DEC-8-ENE-6-CARBOXAMIDE
C123-0421 Screening compound: (5S7R)-3-[(2-CHLOROPHENYL)METHYL]-N-CYCLOOCTYL-4-OXO-10-OXA-3-AZATRICYCLO[5.2.1.0{15}]DEC-8-ENE-6-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C123-0421
(5S7R)-3-[(2-CHLOROPHENYL)METHYL]-N-CYCLOOCTYL-4-OXO-10-OXA-3-AZATRICYCLO[5.2.1.0{15}]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

C123-0421

Molecular Formula

C24H29ClN2O3 (C24 H29 ClN2 O3)

Compound Name

(5S7R)-3-[(2-CHLOROPHENYL)METHYL]-N-CYCLOOCTYL-4-OXO-10-OXA-3-AZATRICYCLO[5.2.1.0{15}]DEC-8-ENE-6-CARBOXAMIDE

IUPAC name

(5S7R)-3-[(2-chlorophenyl)methyl]-N-cyclooctyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-6-carboxamide

SMILES

O=C(C([C@@H]1C(N(Cc(cccc2)c2Cl)C2)=O)[C@@H]3O[C@@]12C=C3)NC1CCCCCCC1

InChI

InChI=1S/C24H29ClN2O3/c25-18-11-7-6-8-16(18)14-27-15-24-13-12-19(30-24)20(21(24)23(27)29)22(28)26-17-9-4-2-1-3-5-10-17/h6-8,11-13,17,19-21H,1-5,9-10,14-15H2,(H,26,28)/t19-,20?,21+,24+/m1/s1

InChI Key

ZTLHNTBOFOJDIP-CRURIXEJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.540

Distribution Coefficient, logD

4.540

Water Solubility, LogSw

-4.54

Polar Surface Area

49.017

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

58.33

C123-0421 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 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

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C123-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C123-0421?
Check Price and Availability of C123-0421, 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 C123-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C123-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C123-0421
  • 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 C123-0421 available by request