C532-1595 Screening compound: ethyl 4-(3-methyl-1-phenyl-1H-pyrazole-5-amido)benzoate

C532-1595 Screening compound: ethyl 4-(3-methyl-1-phenyl-1H-pyrazole-5-amido)benzoate
C532-1595 Screening compound: ethyl 4-(3-methyl-1-phenyl-1H-pyrazole-5-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C532-1595
ethyl 4-(3-methyl-1-phenyl-1H-pyrazole-5-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

C532-1595

Molecular Formula

C20H19N3O3 (C20 H19 N3 O3)

Compound Name

ethyl 4-(3-methyl-1-phenyl-1H-pyrazole-5-amido)benzoate

IUPAC name

ethyl 4-(3-methyl-1-phenyl-1H-pyrazole-5-amido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1cc(C)nn1-c1ccccc1)=O)=O

InChI

InChI=1S/C20H19N3O3/c1-3-26-20(25)15-9-11-16(12-10-15)21-19(24)18-13-14(2)22-23(18)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H,21,24)

InChI Key

HDKLASYRCCWUHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.582

Distribution Coefficient, logD

3.582

Water Solubility, LogSw

-3.67

Polar Surface Area

56.984

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C532-1595 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C532-1595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C532-1595?
Check Price and Availability of C532-1595, 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 C532-1595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C532-1595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C532-1595
  • 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 C532-1595 available by request