V002-4219 Screening compound: 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate

V002-4219 Screening compound: 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate
V002-4219 Screening compound: 1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4219
1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate

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

V002-4219

Molecular Formula

C33H25F4N3O3 (C33 H25 F4 N3 O3)

Compound Name

1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate

IUPAC name

1-(24-dimethylphenyl)-3-(2-fluorophenyl)-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1H-pyrazol-5-yl acetate

SMILES

CC(Oc(n(-c1c(C)cc(C)cc1)nc1-c(cccc2)c2F)c1-c(cc1)ccc1NC(c1ccc(C(F)(F)F)cc1)=O)=O

InChI

InChI=1S/C33H25F4N3O3/c1-19-8-17-28(20(2)18-19)40-32(43-21(3)41)29(30(39-40)26-6-4-5-7-27(26)34)22-11-15-25(16-12-22)38-31(42)23-9-13-24(14-10-23)33(35,36)37/h4-18H,1-3H3,(H,38,42)

InChI Key

SUDHPQNDOYRKIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19868302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

587.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.097

Distribution Coefficient, logD

8.097

Water Solubility, LogSw

-5.75

Polar Surface Area

57.364

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

V002-4219 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V002-4219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4219?
Check Price and Availability of V002-4219, 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 V002-4219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4219
  • 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 V002-4219 available by request