8020-0868 Screening compound: 3-methoxy-4-[3-(3-pyridyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl methyl ether

8020-0868 Screening compound: 3-methoxy-4-[3-(3-pyridyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl methyl ether
8020-0868 Screening compound: 3-methoxy-4-[3-(3-pyridyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0868
3-methoxy-4-[3-(3-pyridyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]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

8020-0868

Molecular Formula

C16H13N5O2S (C16 H13 N5 O2 S)

Compound Name

3-methoxy-4-[3-(3-pyridyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl methyl ether

IUPAC name

n/a

SMILES

COc(cc1)cc(OC)c1-c(s1)nn2c1nnc2-c1cnccc1

InChI

InChI=1S/C16H13N5O2S/c1-22-11-5-6-12(13(8-11)23-2)15-20-21-14(18-19-16(21)24-15)10-4-3-7-17-9-10/h3-9H,1-2H3

InChI Key

CJYNIMPUJGUKPO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.175

Distribution Coefficient, logD

2.175

Water Solubility, LogSw

-2.34

Polar Surface Area

58.414

Acid Dissociation Constant (pKa)

32.83

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8020-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0868?
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What is the minimum amount of 8020-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0868
  • 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 8020-0868 available by request