F835-0251 Screening compound: 7-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2-(4-methylphenyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

F835-0251 Screening compound: 7-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2-(4-methylphenyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
F835-0251 Screening compound: 7-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2-(4-methylphenyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F835-0251
7-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2-(4-methylphenyl)-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

F835-0251

Molecular Formula

C21H15ClN6O2S (C21 H15 ClN6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c(cc12)nn1C(SCc1nc(-c(cc3)ccc3Cl)no1)=NNC2=O

InChI

InChI=1S/C21H15ClN6O2S/c1-12-2-4-13(5-3-12)16-10-17-20(29)24-25-21(28(17)26-16)31-11-18-23-19(27-30-18)14-6-8-15(22)9-7-14/h2-10H,11H2,1H3,(H,24,29)

InChI Key

JLIRYWYEDAAZPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27197993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.654

Distribution Coefficient, logD

5.652

Water Solubility, LogSw

-6.02

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

9.50

References: we are preparing a list of scientific research reports with F835-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F835-0251?
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What is the minimum amount of F835-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F835-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F835-0251
  • 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 F835-0251 available by request