8019-8146 Screening compound: 2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[(2-fluorophenyl)methyl]acetamide

8019-8146 Screening compound: 2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[(2-fluorophenyl)methyl]acetamide
8019-8146 Screening compound: 2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[(2-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8146
2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-[(2-fluorophenyl)methyl]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

8019-8146

Molecular Formula

C20H15F2N5O2S (C20 H15 F2 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSC(NC(n1nc2)=O)=Nc1c2-c(cc1)ccc1F)NCc(cccc1)c1F

InChI

InChI=1S/C20H15F2N5O2S/c21-14-7-5-12(6-8-14)15-10-24-27-18(15)25-19(26-20(27)29)30-11-17(28)23-9-13-3-1-2-4-16(13)22/h1-8,10H,9,11H2,(H,23,28)(H,25,26,29)

InChI Key

HPMUCBXYBFOGOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12033665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.43

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

3.723

Distribution Coefficient, logD

3.706

Water Solubility, LogSw

-4.02

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

8019-8146 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-8146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8146?
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What is the minimum amount of 8019-8146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8146
  • 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 8019-8146 available by request