8019-8153 Screening compound: 2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-8-(4-fluorophenyl)-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one

8019-8153 Screening compound: 2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-8-(4-fluorophenyl)-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one
8019-8153 Screening compound: 2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-8-(4-fluorophenyl)-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8153
2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-8-(4-fluorophenyl)-3H,4H-pyrazolo[1,5-a][1,3,5]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

8019-8153

Molecular Formula

C20H22FN5O2S (C20 H22 FN5 O2 S)

Compound Name

2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-8-(4-fluorophenyl)-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one

IUPAC name

2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-8-(4-fluorophenyl)-3H4H-pyrazolo[15-a][135]triazin-4-one

SMILES

CCC(CCCC1)N1C(CSC(NC(n1nc2)=O)=Nc1c2-c(cc1)ccc1F)=O

InChI

InChI=1S/C20H22FN5O2S/c1-2-15-5-3-4-10-25(15)17(27)12-29-19-23-18-16(11-22-26(18)20(28)24-19)13-6-8-14(21)9-7-13/h6-9,11,15H,2-5,10,12H2,1H3,(H,23,24,28)/t15-/m0/s1

InChI Key

SRHJARVRFLONLG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD12033672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.661

Distribution Coefficient, logD

3.644

Water Solubility, LogSw

-3.70

Polar Surface Area

63.330

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

8019-8153 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with 8019-8153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8153?
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What is the minimum amount of 8019-8153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8153
  • 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 8019-8153 available by request