8019-8463 Screening compound: 3-(5-chloro-2-methoxyphenyl)-6-(2,3-dihydro-1,4-benzodioxin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

8019-8463 Screening compound: 3-(5-chloro-2-methoxyphenyl)-6-(2,3-dihydro-1,4-benzodioxin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
8019-8463 Screening compound: 3-(5-chloro-2-methoxyphenyl)-6-(2,3-dihydro-1,4-benzodioxin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8463
3-(5-chloro-2-methoxyphenyl)-6-(2,3-dihydro-1,4-benzodioxin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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

8019-8463

Molecular Formula

C18H13ClN4O3S (C18 H13 ClN4 O3 S)

Compound Name

3-(5-chloro-2-methoxyphenyl)-6-(2,3-dihydro-1,4-benzodioxin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-(5-chloro-2-methoxyphenyl)-6-(23-dihydro-14-benzodioxin-2-yl)-[124]triazolo[34-b][134]thiadiazole

SMILES

COc(ccc(Cl)c1)c1-c1nnc2sc(C3Oc(cccc4)c4OC3)nn12

InChI

InChI=1S/C18H13ClN4O3S/c1-24-12-7-6-10(19)8-11(12)16-20-21-18-23(16)22-17(27-18)15-9-25-13-4-2-3-5-14(13)26-15/h2-8,15H,9H2,1H3/t15-/m0/s1

InChI Key

FMTNCJKTDAPRND-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD09851181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.755

Distribution Coefficient, logD

3.755

Water Solubility, LogSw

-4.21

Polar Surface Area

56.789

Acid Dissociation Constant (pKa)

28.69

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8019-8463 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Proline Kinase Library (2105 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-8463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8463?
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What is the minimum amount of 8019-8463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8463
  • 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 8019-8463 available by request