8013-2371 Screening compound: 3-[(2,4-dichlorophenoxy)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

8013-2371 Screening compound: 3-[(2,4-dichlorophenoxy)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
8013-2371 Screening compound: 3-[(2,4-dichlorophenoxy)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2371
3-[(2,4-dichlorophenoxy)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

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

8013-2371

Molecular Formula

C19H14Cl2N4O3S (C19 H14 Cl2 N4 O3 S)

Compound Name

3-[(2,4-dichlorophenoxy)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

IUPAC name

3-[(24-dichlorophenoxy)methyl]-6-(23-dihydro-14-benzodioxin-6-yl)-7H-[124]triazolo[34-b][134]thiadiazine

SMILES

Clc(cc1)cc(Cl)c1OCc1nnc2SCC(c(cc3)cc4c3OCCO4)=Nn12

InChI

InChI=1S/C19H14Cl2N4O3S/c20-12-2-4-15(13(21)8-12)28-9-18-22-23-19-25(18)24-14(10-29-19)11-1-3-16-17(7-11)27-6-5-26-16/h1-4,7-8H,5-6,9-10H2

InChI Key

LYHMHXBHSOQERN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03459458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.456

Distribution Coefficient, logD

2.877

Water Solubility, LogSw

-3.87

Polar Surface Area

58.343

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

8013-2371 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-2371 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 8013-2371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2371
  • 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 8013-2371 available by request