F835-0520 Screening compound: 2-(4-ethylphenyl)-7-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

F835-0520 Screening compound: 2-(4-ethylphenyl)-7-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
F835-0520 Screening compound: 2-(4-ethylphenyl)-7-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F835-0520
2-(4-ethylphenyl)-7-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-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

F835-0520

Molecular Formula

C23H17F3N6O2S (C23 H17 F3 N6 O2 S)

Compound Name

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

IUPAC name

2-(4-ethylphenyl)-7-[({3-[3-(trifluoromethyl)phenyl]-124-oxadiazol-5-yl}methyl)sulfanyl]-4H5H-pyrazolo[15-d][124]triazin-4-one

SMILES

CCc(cc1)ccc1-c(cc12)nn1C(SCc1nc(-c3cc(C(F)(F)F)ccc3)no1)=NNC2=O

InChI

InChI=1S/C23H17F3N6O2S/c1-2-13-6-8-14(9-7-13)17-11-18-21(33)28-29-22(32(18)30-17)35-12-19-27-20(31-34-19)15-4-3-5-16(10-15)23(24,25)26/h3-11H,2,12H2,1H3,(H,28,33)

InChI Key

YIAXNEQIAMFQIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27198072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.368

Distribution Coefficient, logD

6.366

Water Solubility, LogSw

-5.70

Polar Surface Area

82.657

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

F835-0520 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F835-0520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F835-0520?
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What is the minimum amount of F835-0520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F835-0520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F835-0520
  • 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 F835-0520 available by request