5617-0357 Screening compound: 4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(3-ethoxy-2-methoxyphenyl)methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

5617-0357 Screening compound: 4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(3-ethoxy-2-methoxyphenyl)methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
5617-0357 Screening compound: 4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(3-ethoxy-2-methoxyphenyl)methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5617-0357
4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(3-ethoxy-2-methoxyphenyl)methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-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

5617-0357

Molecular Formula

C32H34N4O4 (C32 H34 N4 O4)

Compound Name

4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(3-ethoxy-2-methoxyphenyl)methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

4-[(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)(3-ethoxy-2-methoxyphenyl)methyl]-15-dimethyl-2-phenyl-23-dihydro-1H-pyrazol-3-one

SMILES

CCOc1cccc(C(C(C2=O)=C(C)N(C)N2c2ccccc2)C(C2=O)=C(C)N(C)N2c2ccccc2)c1OC

InChI

InChI=1S/C32H34N4O4/c1-7-40-26-20-14-19-25(30(26)39-6)29(27-21(2)33(4)35(31(27)37)23-15-10-8-11-16-23)28-22(3)34(5)36(32(28)38)24-17-12-9-13-18-24/h8-20,29H,7H2,1-6H3

InChI Key

BFKJLIYGWNNJRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02376961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.647

Distribution Coefficient, logD

3.647

Water Solubility, LogSw

-3.79

Polar Surface Area

54.987

Acid Dissociation Constant (pKa)

29.44

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5617-0357 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 5617-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5617-0357?
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What is the minimum amount of 5617-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5617-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5617-0357
  • 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 5617-0357 available by request