C123-0448 Screening compound: (5S6R7R)-N-BUTYL-3-[(2-CHLOROPHENYL)METHYL]-4-OXO-10-OXA-3-AZATRICYCLO[5.2.1.0{15}]DEC-8-ENE-6-CARBOXAMIDE

C123-0448 Screening compound: (5S6R7R)-N-BUTYL-3-[(2-CHLOROPHENYL)METHYL]-4-OXO-10-OXA-3-AZATRICYCLO[5.2.1.0{15}]DEC-8-ENE-6-CARBOXAMIDE
C123-0448 Screening compound: (5S6R7R)-N-BUTYL-3-[(2-CHLOROPHENYL)METHYL]-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 C123-0448
(5S6R7R)-N-BUTYL-3-[(2-CHLOROPHENYL)METHYL]-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

C123-0448

Molecular Formula

C20H23ClN2O3 (C20 H23 ClN2 O3)

Compound Name

(5S6R7R)-N-BUTYL-3-[(2-CHLOROPHENYL)METHYL]-4-OXO-10-OXA-3-AZATRICYCLO[5.2.1.0{15}]DEC-8-ENE-6-CARBOXAMIDE

IUPAC name

(5S6R7R)-N-butyl-3-[(2-chlorophenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-6-carboxamide

SMILES

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

InChI

InChI=1S/C20H23ClN2O3/c1-2-3-10-22-18(24)16-15-8-9-20(26-15)12-23(19(25)17(16)20)11-13-6-4-5-7-14(13)21/h4-9,15-17H,2-3,10-12H2,1H3,(H,22,24)/t15-,16+,17+,20+/m1/s1

InChI Key

YAIXJKZQJNOCPD-YLAKUSLOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.967

Distribution Coefficient, logD

2.967

Water Solubility, LogSw

-3.54

Polar Surface Area

49.074

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

C123-0448 in Drug Discovery

Included in Screening Libraries

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

Antiviral Annotated Library (21441 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C123-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C123-0448?
Check Price and Availability of C123-0448, 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 C123-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C123-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C123-0448
  • 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 C123-0448 available by request