3935-1321 Screening compound: ethyl 4-[3-(4-bromophenyl)-1-phenyl-1H-pyrazole-4-amido]benzoate

3935-1321 Screening compound: ethyl 4-[3-(4-bromophenyl)-1-phenyl-1H-pyrazole-4-amido]benzoate
3935-1321 Screening compound: ethyl 4-[3-(4-bromophenyl)-1-phenyl-1H-pyrazole-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3935-1321
ethyl 4-[3-(4-bromophenyl)-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

3935-1321

Molecular Formula

C25H20BrN3O3 (C25 H20 BrN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(c1cn(-c2ccccc2)nc1-c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C25H20BrN3O3/c1-2-32-25(31)18-10-14-20(15-11-18)27-24(30)22-16-29(21-6-4-3-5-7-21)28-23(22)17-8-12-19(26)13-9-17/h3-16H,2H2,1H3,(H,27,30)

InChI Key

OKPMUDINUSUCGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02720397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.040

Distribution Coefficient, logD

6.040

Water Solubility, LogSw

-5.51

Polar Surface Area

58.716

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

3935-1321 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3935-1321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3935-1321?
Check Price and Availability of 3935-1321, 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 3935-1321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3935-1321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3935-1321
  • 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 3935-1321 available by request