Screening compound: InChI=1S/C20H30N2O3/c1-16(2)21-11-9-20(10-12-21)15-22(19(23)8-13-24-3)14-17-6-4-5-7-18(17)25-20/h4-7,16H,8-15H2,1-3H3

Screening compound: InChI=1S/C20H30N2O3/c1-16(2)21-11-9-20(10-12-21)15-22(19(23)8-13-24-3)14-17-6-4-5-7-18(17)25-20/h4-7,16H,8-15H2,1-3H3
Screening compound: InChI=1S/C20H30N2O3/c1-16(2)21-11-9-20(10-12-21)15-22(19(23)8-13-24-3)14-17-6-4-5-7-18(17)25-20/h4-7,16H,8-15H2,1-3H3 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C20H30N2O3/c1-16(2)21-11-9-20(10-12-21)15-22(19(23)8-13-24-3)14-17-6-4-5-7-18(17)25-20/h4-7,16H,8-15H2,1-3H3

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

S530-0205

Molecular Formula

C20H30N2O3 (C20 H30 N2 O3)

Compound Name

3-methoxy-1-[1'-(propan-2-yl)-4,5-dihydro-3H-spiro[1,4-benzoxazepine-2,4'-piperidin]-4-yl]propan-1-one

IUPAC name

3-methoxy-1-[1'-(propan-2-yl)-45-dihydro-3H-spiro[14-benzoxazepine-24'-piperidin]-4-yl]propan-1-one

SMILES

CC(C)N(CC1)CCC1(CN(C1)C(CCOC)=O)Oc2c1cccc2

InChI

InChI=1S/C20H30N2O3/c1-16(2)21-11-9-20(10-12-21)15-22(19(23)8-13-24-3)14-17-6-4-5-7-18(17)25-20/h4-7,16H,8-15H2,1-3H3

InChI Key

XXEKSAWPMLSBGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29008401

InChI=1S/C20H30N2O3/c1-16(2)21-11-9-20(10-12-21)15-22(19(23)8-13-24-3)14-17-6-4-5-7-18(17)25-20/h4-7,16H,8-15H2,1-3H3 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with InChI=1S/C20H30N2O3/c1-16(2)21-11-9-20(10-12-21)15-22(19(23)8-13-24-3)14-17-6-4-5-7-18(17)25-20/h4-7,16H,8-15H2,1-3H3 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for InChI=1S/C20H30N2O3/c1-16(2)21-11-9-20(10-12-21)15-22(19(23)8-13-24-3)14-17-6-4-5-7-18(17)25-20/h4-7,16H,8-15H2,1-3H3
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for InChI=1S/C20H30N2O3/c1-16(2)21-11-9-20(10-12-21)15-22(19(23)8-13-24-3)14-17-6-4-5-7-18(17)25-20/h4-7,16H,8-15H2,1-3H3
  • 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 InChI=1S/C20H30N2O3/c1-16(2)21-11-9-20(10-12-21)15-22(19(23)8-13-24-3)14-17-6-4-5-7-18(17)25-20/h4-7,16H,8-15H2,1-3H3 available by request