8561-07646 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-ol

8561-07646 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-ol
8561-07646 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8561-07646
1-(1H-1,3-benzodiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-ol

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

8561-07646

Molecular Formula

C16H11FN4O (C16 H11 FN4 O)

Compound Name

1-(1H-1,3-benzodiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-ol

IUPAC name

1-(1H-13-benzodiazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazol-5-ol

SMILES

Oc1cc(-c(cc2)ccc2F)nn1-c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C16H11FN4O/c17-11-7-5-10(6-8-11)14-9-15(22)21(20-14)16-18-12-3-1-2-4-13(12)19-16/h1-9,22H,(H,18,19)

InChI Key

ZEVLFTCJIRSQEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07181118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.173

Distribution Coefficient, logD

0.975

Water Solubility, LogSw

-3.27

Polar Surface Area

48.751

Acid Dissociation Constant (pKa)

5.71

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8561-07646 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

GABA Library (7115 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Eye
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8561-07646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8561-07646?
Check Price and Availability of 8561-07646, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8561-07646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8561-07646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8561-07646
  • 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 8561-07646 available by request