8019-5753 Screening compound: N-[(4-fluorophenyl)methyl]-2-({4-oxo-8-phenyl-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl}sulfanyl)acetamide

8019-5753 Screening compound: N-[(4-fluorophenyl)methyl]-2-({4-oxo-8-phenyl-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl}sulfanyl)acetamide
8019-5753 Screening compound: N-[(4-fluorophenyl)methyl]-2-({4-oxo-8-phenyl-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5753
N-[(4-fluorophenyl)methyl]-2-({4-oxo-8-phenyl-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl}sulfanyl)acetamide

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

8019-5753

Molecular Formula

C20H16FN5O2S (C20 H16 FN5 O2 S)

Compound Name

N-[(4-fluorophenyl)methyl]-2-({4-oxo-8-phenyl-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl}sulfanyl)acetamide

IUPAC name

N-[(4-fluorophenyl)methyl]-2-({4-oxo-8-phenyl-3H4H-pyrazolo[15-a][135]triazin-2-yl}sulfanyl)acetamide

SMILES

O=C(CSC(NC(n1nc2)=O)=Nc1c2-c1ccccc1)NCc(cc1)ccc1F

InChI

InChI=1S/C20H16FN5O2S/c21-15-8-6-13(7-9-15)10-22-17(27)12-29-19-24-18-16(14-4-2-1-3-5-14)11-23-26(18)20(28)25-19/h1-9,11H,10,12H2,(H,22,27)(H,24,25,28)

InChI Key

GJSLHMUXBQLEBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.244

Distribution Coefficient, logD

3.226

Water Solubility, LogSw

-3.50

Polar Surface Area

71.763

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 8019-5753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5753?
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What is the minimum amount of 8019-5753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5753
  • 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 8019-5753 available by request