Screening compound: InChI=1S/C28H25ClN2O4S/c29-22-7-3-1-5-20(22)18-31-23-17-19(26(32)30-13-11-28(12-14-30)34-15-16-35-28)9-10-25(23)36-24-8-4-2-6-21(24)27(31)33/h1-10,17H,11-16,18H2

Screening compound: InChI=1S/C28H25ClN2O4S/c29-22-7-3-1-5-20(22)18-31-23-17-19(26(32)30-13-11-28(12-14-30)34-15-16-35-28)9-10-25(23)36-24-8-4-2-6-21(24)27(31)33/h1-10,17H,11-16,18H2
Screening compound: InChI=1S/C28H25ClN2O4S/c29-22-7-3-1-5-20(22)18-31-23-17-19(26(32)30-13-11-28(12-14-30)34-15-16-35-28)9-10-25(23)36-24-8-4-2-6-21(24)27(31)33/h1-10,17H,11-16,18H2 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C28H25ClN2O4S/c29-22-7-3-1-5-20(22)18-31-23-17-19(26(32)30-13-11-28(12-14-30)34-15-16-35-28)9-10-25(23)36-24-8-4-2-6-21(24)27(31)33/h1-10,17H,11-16,18H2

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

K788-1477

Molecular Formula

C28H25ClN2O4S (C28 H25 ClN2 O4 S)

Compound Name

10-(2-chlorobenzyl)-8-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

9-[(2-chlorophenyl)methyl]-6-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-10-one

SMILES

O=C(c(cc1)cc(N2Cc(cccc3)c3Cl)c1Sc(cccc1)c1C2=O)N(CC1)CCC11OCCO1

InChI

InChI=1S/C28H25ClN2O4S/c29-22-7-3-1-5-20(22)18-31-23-17-19(26(32)30-13-11-28(12-14-30)34-15-16-35-28)9-10-25(23)36-24-8-4-2-6-21(24)27(31)33/h1-10,17H,11-16,18H2

InChI Key

WIPDXTUMJYWFNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103153

InChI=1S/C28H25ClN2O4S/c29-22-7-3-1-5-20(22)18-31-23-17-19(26(32)30-13-11-28(12-14-30)34-15-16-35-28)9-10-25(23)36-24-8-4-2-6-21(24)27(31)33/h1-10,17H,11-16,18H2 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with InChI=1S/C28H25ClN2O4S/c29-22-7-3-1-5-20(22)18-31-23-17-19(26(32)30-13-11-28(12-14-30)34-15-16-35-28)9-10-25(23)36-24-8-4-2-6-21(24)27(31)33/h1-10,17H,11-16,18H2 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/C28H25ClN2O4S/c29-22-7-3-1-5-20(22)18-31-23-17-19(26(32)30-13-11-28(12-14-30)34-15-16-35-28)9-10-25(23)36-24-8-4-2-6-21(24)27(31)33/h1-10,17H,11-16,18H2
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/C28H25ClN2O4S/c29-22-7-3-1-5-20(22)18-31-23-17-19(26(32)30-13-11-28(12-14-30)34-15-16-35-28)9-10-25(23)36-24-8-4-2-6-21(24)27(31)33/h1-10,17H,11-16,18H2
  • 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/C28H25ClN2O4S/c29-22-7-3-1-5-20(22)18-31-23-17-19(26(32)30-13-11-28(12-14-30)34-15-16-35-28)9-10-25(23)36-24-8-4-2-6-21(24)27(31)33/h1-10,17H,11-16,18H2 available by request