Screening compound: InChI=1S/C21H18BrN3OS/c1-26-13-20-23-24-21(27-14-15-6-4-9-17(22)12-15)25(20)19-11-5-8-16-7-2-3-10-18(16)19/h2-12H,13-14H2,1H3

Screening compound: InChI=1S/C21H18BrN3OS/c1-26-13-20-23-24-21(27-14-15-6-4-9-17(22)12-15)25(20)19-11-5-8-16-7-2-3-10-18(16)19/h2-12H,13-14H2,1H3
Screening compound: InChI=1S/C21H18BrN3OS/c1-26-13-20-23-24-21(27-14-15-6-4-9-17(22)12-15)25(20)19-11-5-8-16-7-2-3-10-18(16)19/h2-12H,13-14H2,1H3 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C21H18BrN3OS/c1-26-13-20-23-24-21(27-14-15-6-4-9-17(22)12-15)25(20)19-11-5-8-16-7-2-3-10-18(16)19/h2-12H,13-14H2,1H3

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

8007-8626

Molecular Formula

C21H18BrN3OS (C21 H18 BrN3 OS)

Compound Name

3-{[(3-bromophenyl)methyl]sulfanyl}-5-(methoxymethyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazole

IUPAC name

3-{[(3-bromophenyl)methyl]sulfanyl}-5-(methoxymethyl)-4-(naphthalen-1-yl)-4H-124-triazole

SMILES

COCc(n1-c2cccc3ccccc23)nnc1SCc1cccc(Br)c1

InChI

InChI=1S/C21H18BrN3OS/c1-26-13-20-23-24-21(27-14-15-6-4-9-17(22)12-15)25(20)19-11-5-8-16-7-2-3-10-18(16)19/h2-12H,13-14H2,1H3

InChI Key

MSSQLCMFEHISRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01230266

InChI=1S/C21H18BrN3OS/c1-26-13-20-23-24-21(27-14-15-6-4-9-17(22)12-15)25(20)19-11-5-8-16-7-2-3-10-18(16)19/h2-12H,13-14H2,1H3 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with InChI=1S/C21H18BrN3OS/c1-26-13-20-23-24-21(27-14-15-6-4-9-17(22)12-15)25(20)19-11-5-8-16-7-2-3-10-18(16)19/h2-12H,13-14H2,1H3 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/C21H18BrN3OS/c1-26-13-20-23-24-21(27-14-15-6-4-9-17(22)12-15)25(20)19-11-5-8-16-7-2-3-10-18(16)19/h2-12H,13-14H2,1H3
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/C21H18BrN3OS/c1-26-13-20-23-24-21(27-14-15-6-4-9-17(22)12-15)25(20)19-11-5-8-16-7-2-3-10-18(16)19/h2-12H,13-14H2,1H3
  • 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/C21H18BrN3OS/c1-26-13-20-23-24-21(27-14-15-6-4-9-17(22)12-15)25(20)19-11-5-8-16-7-2-3-10-18(16)19/h2-12H,13-14H2,1H3 available by request