6049-0224 Screening compound: 1-(1-benzothiophene-3-carbonyl)-5-(difluoromethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol

6049-0224 Screening compound: 1-(1-benzothiophene-3-carbonyl)-5-(difluoromethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
6049-0224 Screening compound: 1-(1-benzothiophene-3-carbonyl)-5-(difluoromethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-0224
1-(1-benzothiophene-3-carbonyl)-5-(difluoromethyl)-3-methyl-4,5-dihydro-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

6049-0224

Molecular Formula

C14H12F2N2O2S (C14 H12 F2 N2 O2 S)

Compound Name

1-(1-benzothiophene-3-carbonyl)-5-(difluoromethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-(1-benzothiophene-3-carbonyl)-5-(difluoromethyl)-3-methyl-45-dihydro-1H-pyrazol-5-ol

SMILES

CC(CC1(C(F)F)O)=NN1C(c1csc2c1cccc2)=O

InChI

InChI=1S/C14H12F2N2O2S/c1-8-6-14(20,13(15)16)18(17-8)12(19)10-7-21-11-5-3-2-4-9(10)11/h2-5,7,13,20H,6H2,1H3/t14-/m0/s1

InChI Key

PIAWZYGWZKXING-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03465886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.502

Distribution Coefficient, logD

2.502

Water Solubility, LogSw

-2.72

Polar Surface Area

43.710

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

6049-0224 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6049-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-0224?
Check Price and Availability of 6049-0224, 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 6049-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-0224
  • 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 6049-0224 available by request