4607-1615 Screening compound: 1-(3-methoxybenzoyl)-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

4607-1615 Screening compound: 1-(3-methoxybenzoyl)-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
4607-1615 Screening compound: 1-(3-methoxybenzoyl)-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4607-1615
1-(3-methoxybenzoyl)-3-(3-methoxyphenyl)-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

4607-1615

Molecular Formula

C19H17F3N2O4 (C19 H17 F3 N2 O4)

Compound Name

1-(3-methoxybenzoyl)-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-(3-methoxybenzoyl)-3-(3-methoxyphenyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

COc1cccc(C(N(C(C2)(C(F)(F)F)O)N=C2c2cc(OC)ccc2)=O)c1

InChI

InChI=1S/C19H17F3N2O4/c1-27-14-7-3-5-12(9-14)16-11-18(26,19(20,21)22)24(23-16)17(25)13-6-4-8-15(10-13)28-2/h3-10,26H,11H2,1-2H3/t18-/m0/s1

InChI Key

NKRDQTJLILLQRY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02912313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.465

Distribution Coefficient, logD

3.465

Water Solubility, LogSw

-3.77

Polar Surface Area

58.606

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

4607-1615 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4607-1615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4607-1615?
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What is the minimum amount of 4607-1615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4607-1615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4607-1615
  • 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 4607-1615 available by request