8008-3130 Screening compound: 5-(4-ethylphenyl)-1-(4-methylbenzoyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

8008-3130 Screening compound: 5-(4-ethylphenyl)-1-(4-methylbenzoyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
8008-3130 Screening compound: 5-(4-ethylphenyl)-1-(4-methylbenzoyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3130
5-(4-ethylphenyl)-1-(4-methylbenzoyl)-3-(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

8008-3130

Molecular Formula

C20H19F3N2O2 (C20 H19 F3 N2 O2)

Compound Name

5-(4-ethylphenyl)-1-(4-methylbenzoyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

5-(4-ethylphenyl)-1-(4-methylbenzoyl)-3-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

CCc1ccc(C(C2)(N(C(c3ccc(C)cc3)=O)N=C2C(F)(F)F)O)cc1

InChI

InChI=1S/C20H19F3N2O2/c1-3-14-6-10-16(11-7-14)19(27)12-17(20(21,22)23)24-25(19)18(26)15-8-4-13(2)5-9-15/h4-11,27H,3,12H2,1-2H3/t19-/m0/s1

InChI Key

OBKAKUBKEMGJSH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01305901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.804

Distribution Coefficient, logD

4.804

Water Solubility, LogSw

-4.46

Polar Surface Area

43.518

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8008-3130 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8008-3130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3130?
Check Price and Availability of 8008-3130, 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 8008-3130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3130
  • 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 8008-3130 available by request