V002-0644 Screening compound: N-{[5-(2-chlorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)benzamide

V002-0644 Screening compound: N-{[5-(2-chlorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)benzamide
V002-0644 Screening compound: N-{[5-(2-chlorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-0644
N-{[5-(2-chlorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)benzamide

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

V002-0644

Molecular Formula

C27H26ClN3O3 (C27 H26 ClN3 O3)

Compound Name

N-{[5-(2-chlorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)benzamide

IUPAC name

N-{[5-(2-chlorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)benzamide

SMILES

Cn(c(Oc(cccc1)c1Cl)c1CN(CCOC)C(c2ccccc2)=O)nc1-c1ccccc1

InChI

InChI=1S/C27H26ClN3O3/c1-30-27(34-24-16-10-9-15-23(24)28)22(25(29-30)20-11-5-3-6-12-20)19-31(17-18-33-2)26(32)21-13-7-4-8-14-21/h3-16H,17-19H2,1-2H3

InChI Key

YIDDAMDZHQEIQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19808655

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

475.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.467

Distribution Coefficient, logD

4.467

Water Solubility, LogSw

-4.58

Polar Surface Area

45.882

Acid Dissociation Constant (pKa)

22.52

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

V002-0644 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with V002-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-0644?
Check Price and Availability of V002-0644, 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 V002-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-0644
  • 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 V002-0644 available by request