4607-0010 Screening compound: 1-(4-fluorobenzoyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

4607-0010 Screening compound: 1-(4-fluorobenzoyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
4607-0010 Screening compound: 1-(4-fluorobenzoyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4607-0010
1-(4-fluorobenzoyl)-3-methyl-5-(trifluoromethyl)-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

4607-0010

Molecular Formula

C12H10F4N2O2 (C12 H10 F4 N2 O2)

Compound Name

1-(4-fluorobenzoyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-(4-fluorobenzoyl)-3-methyl-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

CC(CC1(C(F)(F)F)O)=NN1C(c(cc1)ccc1F)=O

InChI

InChI=1S/C12H10F4N2O2/c1-7-6-11(20,12(14,15)16)18(17-7)10(19)8-2-4-9(13)5-3-8/h2-5,20H,6H2,1H3/t11-/m0/s1

InChI Key

JYLPESGWTPJQIR-NSHDSACASA-N

MDL Number (MFCD)

MFCD00714643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.22

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

2.138

Distribution Coefficient, logD

2.138

Water Solubility, LogSw

-2.38

Polar Surface Area

42.963

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4607-0010 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4607-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4607-0010?
Check Price and Availability of 4607-0010, 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 4607-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4607-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4607-0010
  • 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 4607-0010 available by request