V020-5527 Screening compound: 1-(3-chlorophenyl)-3-ethyl-1H-pyrazol-5-yl naphthalene-1-carboxylate

V020-5527 Screening compound: 1-(3-chlorophenyl)-3-ethyl-1H-pyrazol-5-yl naphthalene-1-carboxylate
V020-5527 Screening compound: 1-(3-chlorophenyl)-3-ethyl-1H-pyrazol-5-yl naphthalene-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-5527
1-(3-chlorophenyl)-3-ethyl-1H-pyrazol-5-yl naphthalene-1-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

V020-5527

Molecular Formula

C22H17ClN2O2 (C22 H17 ClN2 O2)

Compound Name

1-(3-chlorophenyl)-3-ethyl-1H-pyrazol-5-yl naphthalene-1-carboxylate

IUPAC name

1-(3-chlorophenyl)-3-ethyl-1H-pyrazol-5-yl naphthalene-1-carboxylate

SMILES

CCc(cc1OC(c2cccc3ccccc23)=O)nn1-c1cccc(Cl)c1

InChI

InChI=1S/C22H17ClN2O2/c1-2-17-14-21(25(24-17)18-10-6-9-16(23)13-18)27-22(26)20-12-5-8-15-7-3-4-11-19(15)20/h3-14H,2H2,1H3

InChI Key

LSDXLEHMJUQTBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19713472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.871

Distribution Coefficient, logD

5.871

Water Solubility, LogSw

-6.20

Polar Surface Area

34.334

Acid Dissociation Constant (pKa)

29.62

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

V020-5527 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V020-5527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-5527?
Check Price and Availability of V020-5527, 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 V020-5527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-5527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-5527
  • 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 V020-5527 available by request