3935-1521 Screening compound: ethyl 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-amido]benzoate

3935-1521 Screening compound: ethyl 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-amido]benzoate
3935-1521 Screening compound: ethyl 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3935-1521
ethyl 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-amido]benzoate

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

3935-1521

Molecular Formula

C27H25N3O5 (C27 H25 N3 O5)

Compound Name

ethyl 4-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-amido]benzoate

IUPAC name

ethyl 4-[3-(34-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1cn(-c2ccccc2)nc1-c(cc1)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C27H25N3O5/c1-4-35-27(32)18-10-13-20(14-11-18)28-26(31)22-17-30(21-8-6-5-7-9-21)29-25(22)19-12-15-23(33-2)24(16-19)34-3/h5-17H,4H2,1-3H3,(H,28,31)

InChI Key

MUPMTIRKAONGKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02724958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.917

Distribution Coefficient, logD

4.917

Water Solubility, LogSw

-4.43

Polar Surface Area

73.977

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

3935-1521 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3935-1521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3935-1521?
Check Price and Availability of 3935-1521, 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 3935-1521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3935-1521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3935-1521
  • 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 3935-1521 available by request