V003-0741 Screening compound: N-{[5-(4-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3-fluoro-N-(propan-2-yl)benzamide

V003-0741 Screening compound: N-{[5-(4-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3-fluoro-N-(propan-2-yl)benzamide
V003-0741 Screening compound: N-{[5-(4-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3-fluoro-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-0741
N-{[5-(4-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3-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

V003-0741

Molecular Formula

C27H25ClFN3O2 (C27 H25 ClFN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(Cc(c(C)nn1-c2ccccc2)c1Oc(cc1)ccc1Cl)C(c1cc(F)ccc1)=O

InChI

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

InChI Key

BBKJZUHRAFCAAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19808800

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

6.337

Distribution Coefficient, logD

6.337

Water Solubility, LogSw

-6.22

Polar Surface Area

36.875

Acid Dissociation Constant (pKa)

23.68

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with V003-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-0741?
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What is the minimum amount of V003-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-0741
  • 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 V003-0741 available by request