Screening compound: InChI=1S/C17H30N6O3S/c1-13(2)17(24)21-8-7-15-18-19-16(23(15)12-11-21)14-5-9-22(10-6-14)27(25,26)20(3)4/h13-14H,5-12H2,1-4H3

Screening compound: InChI=1S/C17H30N6O3S/c1-13(2)17(24)21-8-7-15-18-19-16(23(15)12-11-21)14-5-9-22(10-6-14)27(25,26)20(3)4/h13-14H,5-12H2,1-4H3
Screening compound: InChI=1S/C17H30N6O3S/c1-13(2)17(24)21-8-7-15-18-19-16(23(15)12-11-21)14-5-9-22(10-6-14)27(25,26)20(3)4/h13-14H,5-12H2,1-4H3 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C17H30N6O3S/c1-13(2)17(24)21-8-7-15-18-19-16(23(15)12-11-21)14-5-9-22(10-6-14)27(25,26)20(3)4/h13-14H,5-12H2,1-4H3

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

S905-0793

Molecular Formula

C17H30N6O3S (C17 H30 N6 O3 S)

Compound Name

4-(7-isobutyryl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)-N~1~,N~1~-dimethyltetrahydro-1(2H)-pyridinesulfonamide

IUPAC name

NN-dimethyl-4-[7-(2-methylpropanoyl)-5H6H7H8H9H-[124]triazolo[43-d][14]diazepin-3-yl]piperidine-1-sulfonamide

SMILES

CC(C)C(N1CCn2c(C(CC3)CCN3S(N(C)C)(=O)=O)nnc2CC1)=O

InChI

InChI=1S/C17H30N6O3S/c1-13(2)17(24)21-8-7-15-18-19-16(23(15)12-11-21)14-5-9-22(10-6-14)27(25,26)20(3)4/h13-14H,5-12H2,1-4H3

InChI Key

DULJHDOZBDSVFL-UHFFFAOYSA-N

MDL Number (MFCD)

InChI=1S/C17H30N6O3S/c1-13(2)17(24)21-8-7-15-18-19-16(23(15)12-11-21)14-5-9-22(10-6-14)27(25,26)20(3)4/h13-14H,5-12H2,1-4H3 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with InChI=1S/C17H30N6O3S/c1-13(2)17(24)21-8-7-15-18-19-16(23(15)12-11-21)14-5-9-22(10-6-14)27(25,26)20(3)4/h13-14H,5-12H2,1-4H3 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/C17H30N6O3S/c1-13(2)17(24)21-8-7-15-18-19-16(23(15)12-11-21)14-5-9-22(10-6-14)27(25,26)20(3)4/h13-14H,5-12H2,1-4H3
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/C17H30N6O3S/c1-13(2)17(24)21-8-7-15-18-19-16(23(15)12-11-21)14-5-9-22(10-6-14)27(25,26)20(3)4/h13-14H,5-12H2,1-4H3
  • 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/C17H30N6O3S/c1-13(2)17(24)21-8-7-15-18-19-16(23(15)12-11-21)14-5-9-22(10-6-14)27(25,26)20(3)4/h13-14H,5-12H2,1-4H3 available by request