V003-4946 Screening compound: ethyl 5-(4-chlorophenyl)-1-[4-(propylcarbamoyl)phenyl]-1H-pyrazole-3-carboxylate

V003-4946 Screening compound: ethyl 5-(4-chlorophenyl)-1-[4-(propylcarbamoyl)phenyl]-1H-pyrazole-3-carboxylate
V003-4946 Screening compound: ethyl 5-(4-chlorophenyl)-1-[4-(propylcarbamoyl)phenyl]-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4946
ethyl 5-(4-chlorophenyl)-1-[4-(propylcarbamoyl)phenyl]-1H-pyrazole-3-carboxylate

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

V003-4946

Molecular Formula

C22H22ClN3O3 (C22 H22 ClN3 O3)

Compound Name

ethyl 5-(4-chlorophenyl)-1-[4-(propylcarbamoyl)phenyl]-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 5-(4-chlorophenyl)-1-[4-(propylcarbamoyl)phenyl]-1H-pyrazole-3-carboxylate

SMILES

CCCNC(c(cc1)ccc1-n(c(-c(cc1)ccc1Cl)c1)nc1C(OCC)=O)=O

InChI

InChI=1S/C22H22ClN3O3/c1-3-13-24-21(27)16-7-11-18(12-8-16)26-20(15-5-9-17(23)10-6-15)14-19(25-26)22(28)29-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)

InChI Key

HOUVEAHAOZYEFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19944250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.664

Distribution Coefficient, logD

4.664

Water Solubility, LogSw

-4.74

Polar Surface Area

58.342

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

V003-4946 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • 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 V003-4946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4946?
Check Price and Availability of V003-4946, 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 V003-4946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4946
  • 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 V003-4946 available by request