Screening compound: InChI=1S/C29H29N7O2/c37-27(34-20-18-33(19-21-34)25-12-6-7-16-30-25)14-13-26-31-32-29-35(17-15-22-8-2-1-3-9-22)28(38)23-10-4-5-11-24(23)36(26)29/h1-12,16H,13-15,17-21H2

Screening compound: InChI=1S/C29H29N7O2/c37-27(34-20-18-33(19-21-34)25-12-6-7-16-30-25)14-13-26-31-32-29-35(17-15-22-8-2-1-3-9-22)28(38)23-10-4-5-11-24(23)36(26)29/h1-12,16H,13-15,17-21H2
Screening compound: InChI=1S/C29H29N7O2/c37-27(34-20-18-33(19-21-34)25-12-6-7-16-30-25)14-13-26-31-32-29-35(17-15-22-8-2-1-3-9-22)28(38)23-10-4-5-11-24(23)36(26)29/h1-12,16H,13-15,17-21H2 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C29H29N7O2/c37-27(34-20-18-33(19-21-34)25-12-6-7-16-30-25)14-13-26-31-32-29-35(17-15-22-8-2-1-3-9-22)28(38)23-10-4-5-11-24(23)36(26)29/h1-12,16H,13-15,17-21H2

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

C741-0788

Molecular Formula

C29H29N7O2 (C29 H29 N7 O2)

Compound Name

1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-4-(2-phenylethyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

IUPAC name

1-{3-oxo-3-[4-(pyridin-2-yl)piperazin-1-yl]propyl}-4-(2-phenylethyl)-4H5H-[124]triazolo[43-a]quinazolin-5-one

SMILES

O=C(CCc(n1-c2c3cccc2)nnc1N(CCc1ccccc1)C3=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C29H29N7O2/c37-27(34-20-18-33(19-21-34)25-12-6-7-16-30-25)14-13-26-31-32-29-35(17-15-22-8-2-1-3-9-22)28(38)23-10-4-5-11-24(23)36(26)29/h1-12,16H,13-15,17-21H2

InChI Key

PQJRIHYQUMTLBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14790931

InChI=1S/C29H29N7O2/c37-27(34-20-18-33(19-21-34)25-12-6-7-16-30-25)14-13-26-31-32-29-35(17-15-22-8-2-1-3-9-22)28(38)23-10-4-5-11-24(23)36(26)29/h1-12,16H,13-15,17-21H2 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epigenetics Focused Set (26518 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with InChI=1S/C29H29N7O2/c37-27(34-20-18-33(19-21-34)25-12-6-7-16-30-25)14-13-26-31-32-29-35(17-15-22-8-2-1-3-9-22)28(38)23-10-4-5-11-24(23)36(26)29/h1-12,16H,13-15,17-21H2 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/C29H29N7O2/c37-27(34-20-18-33(19-21-34)25-12-6-7-16-30-25)14-13-26-31-32-29-35(17-15-22-8-2-1-3-9-22)28(38)23-10-4-5-11-24(23)36(26)29/h1-12,16H,13-15,17-21H2
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/C29H29N7O2/c37-27(34-20-18-33(19-21-34)25-12-6-7-16-30-25)14-13-26-31-32-29-35(17-15-22-8-2-1-3-9-22)28(38)23-10-4-5-11-24(23)36(26)29/h1-12,16H,13-15,17-21H2
  • 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/C29H29N7O2/c37-27(34-20-18-33(19-21-34)25-12-6-7-16-30-25)14-13-26-31-32-29-35(17-15-22-8-2-1-3-9-22)28(38)23-10-4-5-11-24(23)36(26)29/h1-12,16H,13-15,17-21H2 available by request