8020-6354 Screening compound: 2-{[6-(1,3-dimethyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}phenyl trifluoromethyl ether

8020-6354 Screening compound: 2-{[6-(1,3-dimethyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}phenyl trifluoromethyl ether
8020-6354 Screening compound: 2-{[6-(1,3-dimethyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}phenyl trifluoromethyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-6354
2-{[6-(1,3-dimethyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}phenyl trifluoromethyl 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

8020-6354

Molecular Formula

C16H13F3N6OS (C16 H13 F3 N6 OS)

Compound Name

2-{[6-(1,3-dimethyl-1H-pyrazol-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}phenyl trifluoromethyl ether

IUPAC name

n/a

SMILES

Cc1nn(C)cc1-c(s1)nn2c1nnc2Cc(cccc1)c1OC(F)(F)F

InChI

InChI=1S/C16H13F3N6OS/c1-9-11(8-24(2)22-9)14-23-25-13(20-21-15(25)27-14)7-10-5-3-4-6-12(10)26-16(17,18)19/h3-6,8H,7H2,1-2H3

InChI Key

JVMPKCDNIQFCLJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.114

Distribution Coefficient, logD

3.114

Water Solubility, LogSw

-3.30

Polar Surface Area

55.883

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8020-6354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-6354?
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What is the minimum amount of 8020-6354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-6354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-6354
  • 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 8020-6354 available by request