F835-0468 Screening compound: 7-{[(3-chlorophenyl)methyl]sulfanyl}-2-(4-ethylphenyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

F835-0468 Screening compound: 7-{[(3-chlorophenyl)methyl]sulfanyl}-2-(4-ethylphenyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
F835-0468 Screening compound: 7-{[(3-chlorophenyl)methyl]sulfanyl}-2-(4-ethylphenyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F835-0468
7-{[(3-chlorophenyl)methyl]sulfanyl}-2-(4-ethylphenyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

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

F835-0468

Molecular Formula

C20H17ClN4OS (C20 H17 ClN4 OS)

Compound Name

7-{[(3-chlorophenyl)methyl]sulfanyl}-2-(4-ethylphenyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

IUPAC name

7-{[(3-chlorophenyl)methyl]sulfanyl}-2-(4-ethylphenyl)-4H5H-pyrazolo[15-d][124]triazin-4-one

SMILES

CCc(cc1)ccc1-c(cc12)nn1C(SCc1cccc(Cl)c1)=NNC2=O

InChI

InChI=1S/C20H17ClN4OS/c1-2-13-6-8-15(9-7-13)17-11-18-19(26)22-23-20(25(18)24-17)27-12-14-4-3-5-16(21)10-14/h3-11H,2,12H2,1H3,(H,22,26)

InChI Key

PVNBTMXQYBAQCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27198041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.675

Distribution Coefficient, logD

5.674

Water Solubility, LogSw

-5.91

Polar Surface Area

51.314

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with F835-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F835-0468?
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What is the minimum amount of F835-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F835-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F835-0468
  • 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 F835-0468 available by request