8016-0519 Screening compound: 4-{[6-(3,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methoxy}phenyl methyl ether

8016-0519 Screening compound: 4-{[6-(3,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methoxy}phenyl methyl ether
8016-0519 Screening compound: 4-{[6-(3,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methoxy}phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0519
4-{[6-(3,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methoxy}phenyl methyl ether

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

8016-0519

Molecular Formula

C18H14Cl2N4O2S (C18 H14 Cl2 N4 O2 S)

Compound Name

4-{[6-(3,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methoxy}phenyl methyl ether

IUPAC name

6-(34-dichlorophenyl)-3-[(4-methoxyphenoxy)methyl]-7H-[124]triazolo[34-b][134]thiadiazine

SMILES

COc(cc1)ccc1OCc1nnc2SCC(c(cc3)cc(Cl)c3Cl)=Nn12

InChI

InChI=1S/C18H14Cl2N4O2S/c1-25-12-3-5-13(6-4-12)26-9-17-21-22-18-24(17)23-16(10-27-18)11-2-7-14(19)15(20)8-11/h2-8H,9-10H2,1H3

InChI Key

QMVUCOMLIHREAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03460364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.653

Distribution Coefficient, logD

4.559

Water Solubility, LogSw

-4.84

Polar Surface Area

49.977

Acid Dissociation Constant (pKa)

18.83

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

References: we are preparing a list of scientific research reports with 8016-0519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0519?
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What is the minimum amount of 8016-0519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0519
  • 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 8016-0519 available by request