6237-0188 Screening compound: 1-benzoyl-5-[difluoro(trifluoromethoxy)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-ol

6237-0188 Screening compound: 1-benzoyl-5-[difluoro(trifluoromethoxy)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
6237-0188 Screening compound: 1-benzoyl-5-[difluoro(trifluoromethoxy)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6237-0188
1-benzoyl-5-[difluoro(trifluoromethoxy)methyl]-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

6237-0188

Molecular Formula

C13H11F5N2O3 (C13 H11 F5 N2 O3)

Compound Name

1-benzoyl-5-[difluoro(trifluoromethoxy)methyl]-3-methyl-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-benzoyl-5-[difluoro(trifluoromethoxy)methyl]-3-methyl-45-dihydro-1H-pyrazol-5-ol

SMILES

CC(CC1(C(OC(F)(F)F)(F)F)O)=NN1C(c1ccccc1)=O

InChI

InChI=1S/C13H11F5N2O3/c1-8-7-11(22,12(14,15)23-13(16,17)18)20(19-8)10(21)9-5-3-2-4-6-9/h2-6,22H,7H2,1H3/t11-/m0/s1

InChI Key

OSXQGVXUZCVJQO-NSHDSACASA-N

MDL Number (MFCD)

MFCD04029062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.187

Distribution Coefficient, logD

3.187

Water Solubility, LogSw

-3.33

Polar Surface Area

47.902

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with 6237-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6237-0188?
Check Price and Availability of 6237-0188, 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 6237-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6237-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6237-0188
  • 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 6237-0188 available by request