Screening compound: InChI=1S/C18H21N3O2/c1-20-16-9-6-14(10-17(16)21(2)18(20)22)12-19-11-13-4-7-15(23-3)8-5-13/h4-10,19H,11-12H2,1-3H3

Screening compound: InChI=1S/C18H21N3O2/c1-20-16-9-6-14(10-17(16)21(2)18(20)22)12-19-11-13-4-7-15(23-3)8-5-13/h4-10,19H,11-12H2,1-3H3
Screening compound: InChI=1S/C18H21N3O2/c1-20-16-9-6-14(10-17(16)21(2)18(20)22)12-19-11-13-4-7-15(23-3)8-5-13/h4-10,19H,11-12H2,1-3H3 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C18H21N3O2/c1-20-16-9-6-14(10-17(16)21(2)18(20)22)12-19-11-13-4-7-15(23-3)8-5-13/h4-10,19H,11-12H2,1-3H3

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

D272-0747

Molecular Formula

C18H21N3O2 (C18 H21 N3 O2)

Compound Name

5-({[(4-methoxyphenyl)methyl]amino}methyl)-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-({[(4-methoxyphenyl)methyl]amino}methyl)-13-dimethyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CN(c(ccc(CNCc(cc1)ccc1OC)c1)c1N1C)C1=O

InChI

InChI=1S/C18H21N3O2/c1-20-16-9-6-14(10-17(16)21(2)18(20)22)12-19-11-13-4-7-15(23-3)8-5-13/h4-10,19H,11-12H2,1-3H3

InChI Key

IJSIMXFYANEECO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07434427

InChI=1S/C18H21N3O2/c1-20-16-9-6-14(10-17(16)21(2)18(20)22)12-19-11-13-4-7-15(23-3)8-5-13/h4-10,19H,11-12H2,1-3H3 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with InChI=1S/C18H21N3O2/c1-20-16-9-6-14(10-17(16)21(2)18(20)22)12-19-11-13-4-7-15(23-3)8-5-13/h4-10,19H,11-12H2,1-3H3 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/C18H21N3O2/c1-20-16-9-6-14(10-17(16)21(2)18(20)22)12-19-11-13-4-7-15(23-3)8-5-13/h4-10,19H,11-12H2,1-3H3
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/C18H21N3O2/c1-20-16-9-6-14(10-17(16)21(2)18(20)22)12-19-11-13-4-7-15(23-3)8-5-13/h4-10,19H,11-12H2,1-3H3
  • 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/C18H21N3O2/c1-20-16-9-6-14(10-17(16)21(2)18(20)22)12-19-11-13-4-7-15(23-3)8-5-13/h4-10,19H,11-12H2,1-3H3 available by request