Screening compound: InChI=1S/C22H21FN6O2S2/c23-18-3-5-19(6-4-18)27-12-14-28(15-13-27)33(30,31)20-2-1-11-29-21(20)25-26-22(29)32-16-17-7-9-24-10-8-17/h1-11H,12-16H2

Screening compound: InChI=1S/C22H21FN6O2S2/c23-18-3-5-19(6-4-18)27-12-14-28(15-13-27)33(30,31)20-2-1-11-29-21(20)25-26-22(29)32-16-17-7-9-24-10-8-17/h1-11H,12-16H2
Screening compound: InChI=1S/C22H21FN6O2S2/c23-18-3-5-19(6-4-18)27-12-14-28(15-13-27)33(30,31)20-2-1-11-29-21(20)25-26-22(29)32-16-17-7-9-24-10-8-17/h1-11H,12-16H2 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C22H21FN6O2S2/c23-18-3-5-19(6-4-18)27-12-14-28(15-13-27)33(30,31)20-2-1-11-29-21(20)25-26-22(29)32-16-17-7-9-24-10-8-17/h1-11H,12-16H2

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

M114-1450

Molecular Formula

C22H21FN6O2S2 (C22 H21 FN6 O2 S2)

Compound Name

1-(4-fluorophenyl)-4-[(3-{[(pyridin-4-yl)methyl]sulfanyl}-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfonyl]piperazine

IUPAC name

1-(4-fluorophenyl)-4-[(3-{[(pyridin-4-yl)methyl]sulfanyl}-[124]triazolo[43-a]pyridin-8-yl)sulfonyl]piperazine

SMILES

O=S(c1cccn2c(SCc3ccncc3)nnc12)(N(CC1)CCN1c(cc1)ccc1F)=O

InChI

InChI=1S/C22H21FN6O2S2/c23-18-3-5-19(6-4-18)27-12-14-28(15-13-27)33(30,31)20-2-1-11-29-21(20)25-26-22(29)32-16-17-7-9-24-10-8-17/h1-11H,12-16H2

InChI Key

VMWBAYJPEDALSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497585

InChI=1S/C22H21FN6O2S2/c23-18-3-5-19(6-4-18)27-12-14-28(15-13-27)33(30,31)20-2-1-11-29-21(20)25-26-22(29)32-16-17-7-9-24-10-8-17/h1-11H,12-16H2 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with InChI=1S/C22H21FN6O2S2/c23-18-3-5-19(6-4-18)27-12-14-28(15-13-27)33(30,31)20-2-1-11-29-21(20)25-26-22(29)32-16-17-7-9-24-10-8-17/h1-11H,12-16H2 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Check Price and Availability of InChI=1S/C22H21FN6O2S2/c23-18-3-5-19(6-4-18)27-12-14-28(15-13-27)33(30,31)20-2-1-11-29-21(20)25-26-22(29)32-16-17-7-9-24-10-8-17/h1-11H,12-16H2, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for InChI=1S/C22H21FN6O2S2/c23-18-3-5-19(6-4-18)27-12-14-28(15-13-27)33(30,31)20-2-1-11-29-21(20)25-26-22(29)32-16-17-7-9-24-10-8-17/h1-11H,12-16H2
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/C22H21FN6O2S2/c23-18-3-5-19(6-4-18)27-12-14-28(15-13-27)33(30,31)20-2-1-11-29-21(20)25-26-22(29)32-16-17-7-9-24-10-8-17/h1-11H,12-16H2
  • 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/C22H21FN6O2S2/c23-18-3-5-19(6-4-18)27-12-14-28(15-13-27)33(30,31)20-2-1-11-29-21(20)25-26-22(29)32-16-17-7-9-24-10-8-17/h1-11H,12-16H2 available by request