8012-9965 Screening compound: 3-[(2,4-dichlorophenoxy)methyl]-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

8012-9965 Screening compound: 3-[(2,4-dichlorophenoxy)methyl]-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
8012-9965 Screening compound: 3-[(2,4-dichlorophenoxy)methyl]-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9965
3-[(2,4-dichlorophenoxy)methyl]-6-(4-methylphenyl)-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

8012-9965

Molecular Formula

C18H14Cl2N4OS (C18 H14 Cl2 N4 OS)

Compound Name

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

IUPAC name

3-[(24-dichlorophenoxy)methyl]-6-(4-methylphenyl)-7H-[124]triazolo[34-b][134]thiadiazine

SMILES

Cc(cc1)ccc1C(CS1)=Nn2c1nnc2COc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C18H14Cl2N4OS/c1-11-2-4-12(5-3-11)15-10-26-18-22-21-17(24(18)23-15)9-25-16-7-6-13(19)8-14(16)20/h2-8H,9-10H2,1H3

InChI Key

SNFBFMXYENMOJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.844

Distribution Coefficient, logD

4.169

Water Solubility, LogSw

-4.92

Polar Surface Area

42.520

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

7.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 8012-9965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9965?
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What is the minimum amount of 8012-9965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9965
  • 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 8012-9965 available by request