8019-5434 Screening compound: 2-{[1-cyclopropyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetamide

8019-5434 Screening compound: 2-{[1-cyclopropyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetamide
8019-5434 Screening compound: 2-{[1-cyclopropyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5434
2-{[1-cyclopropyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-(1-phenyl-4,5-dihydro-1H-pyrazol-3-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

8019-5434

Molecular Formula

C22H20F3N5OS (C22 H20 F3 N5 OS)

Compound Name

2-{[1-cyclopropyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}-N-(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetamide

IUPAC name

2-{[1-cyclopropyl-5-(trifluoromethyl)-1H-13-benzodiazol-2-yl]sulfanyl}-N-(1-phenyl-45-dihydro-1H-pyrazol-3-yl)acetamide

SMILES

O=C(CSc1nc(cc(C(F)(F)F)cc2)c2n1C1CC1)NC(CC1)=NN1c1ccccc1

InChI

InChI=1S/C22H20F3N5OS/c23-22(24,25)14-6-9-18-17(12-14)26-21(30(18)16-7-8-16)32-13-20(31)27-19-10-11-29(28-19)15-4-2-1-3-5-15/h1-6,9,12,16H,7-8,10-11,13H2,(H,27,28,31)

InChI Key

WVGRSYMKGJXLBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.719

Distribution Coefficient, logD

4.587

Water Solubility, LogSw

-4.76

Polar Surface Area

50.952

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

8019-5434 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-5434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5434?
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What is the minimum amount of 8019-5434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5434
  • 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 8019-5434 available by request