V003-0729 Screening compound: N-{[5-(4-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-2-fluoro-N-(propan-2-yl)benzamide

V003-0729 Screening compound: N-{[5-(4-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-2-fluoro-N-(propan-2-yl)benzamide
V003-0729 Screening compound: N-{[5-(4-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-2-fluoro-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-0729
N-{[5-(4-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-2-fluoro-N-(propan-2-yl)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

V003-0729

Molecular Formula

C27H25ClFN3O2 (C27 H25 ClFN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(Cc(c(C)nn1-c2ccccc2)c1Oc(cc1)ccc1Cl)C(c(cccc1)c1F)=O

InChI

InChI=1S/C27H25ClFN3O2/c1-18(2)31(26(33)23-11-7-8-12-25(23)29)17-24-19(3)30-32(21-9-5-4-6-10-21)27(24)34-22-15-13-20(28)14-16-22/h4-16,18H,17H2,1-3H3

InChI Key

WWIHZJQLWAFCPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19804829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.97

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

6.347

Distribution Coefficient, logD

6.347

Water Solubility, LogSw

-6.18

Polar Surface Area

36.875

Acid Dissociation Constant (pKa)

23.84

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

V003-0729 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 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 V003-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-0729?
Check Price and Availability of V003-0729, 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 V003-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-0729
  • 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 V003-0729 available by request