V005-7706 Screening compound: N-{[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-cyclopropylcyclobutanecarboxamide

V005-7706 Screening compound: N-{[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-cyclopropylcyclobutanecarboxamide
V005-7706 Screening compound: N-{[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-cyclopropylcyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-7706
N-{[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-cyclopropylcyclobutanecarboxamide

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

V005-7706

Molecular Formula

C25H25ClFN3O2 (C25 H25 ClFN3 O2)

Compound Name

N-{[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-cyclopropylcyclobutanecarboxamide

IUPAC name

N-{[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-N-cyclopropylcyclobutanecarboxamide

SMILES

Cc(c(CN(C1CC1)C(C1CCC1)=O)c1Oc2cc(F)ccc2)nn1-c(cc1)ccc1Cl

InChI

InChI=1S/C25H25ClFN3O2/c1-16-23(15-29(20-12-13-20)24(31)17-4-2-5-17)25(32-22-7-3-6-19(27)14-22)30(28-16)21-10-8-18(26)9-11-21/h3,6-11,14,17,20H,2,4-5,12-13,15H2,1H3

InChI Key

ZFKWDGBJSZOAKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19811671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.436

Distribution Coefficient, logD

5.436

Water Solubility, LogSw

-5.92

Polar Surface Area

36.958

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V005-7706 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V005-7706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-7706?
Check Price and Availability of V005-7706, 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 V005-7706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-7706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-7706
  • 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 V005-7706 available by request