4607-1642 Screening compound: ethyl 2-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoacetate

4607-1642 Screening compound: ethyl 2-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoacetate
4607-1642 Screening compound: ethyl 2-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4607-1642
ethyl 2-[5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoacetate

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

4607-1642

Molecular Formula

C15H15F3N2O5 (C15 H15 F3 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(N(C(C1)(C(F)(F)F)O)N=C1c1cc(OC)ccc1)=O)=O

InChI

InChI=1S/C15H15F3N2O5/c1-3-25-13(22)12(21)20-14(23,15(16,17)18)8-11(19-20)9-5-4-6-10(7-9)24-2/h4-7,23H,3,8H2,1-2H3/t14-/m0/s1

InChI Key

SKLHXEFPBKZQBX-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02912333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.194

Distribution Coefficient, logD

2.194

Water Solubility, LogSw

-2.38

Polar Surface Area

72.087

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 4607-1642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4607-1642?
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What is the minimum amount of 4607-1642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4607-1642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4607-1642
  • 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 4607-1642 available by request