Screening compound: C22H27ClN2O4 (C123-0442)

Screening compound: C<sub>22</sub>H<sub>27</sub>ClN<sub>2</sub>O<sub>4</sub> (C123-0442)
Screening compound: C<sub>22</sub>H<sub>27</sub>ClN<sub>2</sub>O<sub>4</sub> (C123-0442) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C22H27ClN2O4 (C123-0442)

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

C123-0442

Molecular Formula

C22H27ClN2O4 (C22 H27 ClN2 O4)

Compound Name

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

IUPAC name

(5R7S)-3-[(2-chlorophenyl)methyl]-4-oxo-N-[3-(propan-2-yloxy)propyl]-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-6-carboxamide

SMILES

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

InChI

InChI=1S/C22H27ClN2O4/c1-14(2)28-11-5-10-24-20(26)18-17-8-9-22(29-17)13-25(21(27)19(18)22)12-15-6-3-4-7-16(15)23/h3-4,6-9,14,17-19H,5,10-13H2,1-2H3,(H,24,26)/t17-,18?,19+,22+/m1/s1

InChI Key

MDZSLKZYWBEWJV-JTOBOTFSSA-N

MDL Number (MFCD)

C22H27ClN2O4 (C123-0442) in Drug Discovery

Included in Screening Libraries

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

Autophagy-Targeted Library (4564 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C22H27ClN2O4 (C123-0442) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C22H27ClN2O4 (C123-0442)?
Check Price and Availability of C22H27ClN2O4 (C123-0442), 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 C22H27ClN2O4 (C123-0442) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C22H27ClN2O4 (C123-0442)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C22H27ClN2O4 (C123-0442)
  • 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 C22H27ClN2O4 (C123-0442) available by request