3852-0036 Screening compound: 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenoxyethan-1-one

3852-0036 Screening compound: 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenoxyethan-1-one
3852-0036 Screening compound: 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3852-0036
1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenoxyethan-1-one

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

3852-0036

Molecular Formula

C14H15F3N2O3 (C14 H15 F3 N2 O3)

Compound Name

1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenoxyethan-1-one

IUPAC name

1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-1-yl]-2-phenoxyethan-1-one

SMILES

CCC(CC1(C(F)(F)F)O)=NN1C(COc1ccccc1)=O

InChI

InChI=1S/C14H15F3N2O3/c1-2-10-8-13(21,14(15,16)17)19(18-10)12(20)9-22-11-6-4-3-5-7-11/h3-7,21H,2,8-9H2,1H3/t13-/m0/s1

InChI Key

BJKVSZHTPWJKFL-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01047633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.143

Distribution Coefficient, logD

2.143

Water Solubility, LogSw

-2.13

Polar Surface Area

50.665

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 3852-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3852-0036?
Check Price and Availability of 3852-0036, 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 3852-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3852-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3852-0036
  • 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 3852-0036 available by request