8019-8154 Screening compound: 2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

8019-8154 Screening compound: 2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
8019-8154 Screening compound: 2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8154
2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)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

8019-8154

Molecular Formula

C16H11FN6O2S2 (C16 H11 FN6 O2 S2)

Compound Name

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

IUPAC name

2-{[8-(4-fluorophenyl)-4-oxo-3H4H-pyrazolo[15-a][135]triazin-2-yl]sulfanyl}-N-(13-thiazol-2-yl)acetamide

SMILES

O=C(CSC(NC(n1nc2)=O)=Nc1c2-c(cc1)ccc1F)Nc1nccs1

InChI

InChI=1S/C16H11FN6O2S2/c17-10-3-1-9(2-4-10)11-7-19-23-13(11)21-15(22-16(23)25)27-8-12(24)20-14-18-5-6-26-14/h1-7H,8H2,(H,18,20,24)(H,21,22,25)

InChI Key

HMYZUKMOBHPJLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12033673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.833

Distribution Coefficient, logD

2.816

Water Solubility, LogSw

-3.50

Polar Surface Area

80.919

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

8019-8154 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Immunological Library (6760 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with 8019-8154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8154?
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What is the minimum amount of 8019-8154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8154
  • 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 8019-8154 available by request