V025-9554 Screening compound: 2-[benzyl({[2-(trifluoromethyl)phenyl]carbamoyl})amino]-N-[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]acetamide

V025-9554 Screening compound: 2-[benzyl({[2-(trifluoromethyl)phenyl]carbamoyl})amino]-N-[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]acetamide
V025-9554 Screening compound: 2-[benzyl({[2-(trifluoromethyl)phenyl]carbamoyl})amino]-N-[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-9554
2-[benzyl({[2-(trifluoromethyl)phenyl]carbamoyl})amino]-N-[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]acetamide

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

V025-9554

Molecular Formula

C32H34F3N5O2 (C32 H34 F3 N5 O2)

Compound Name

2-[benzyl({[2-(trifluoromethyl)phenyl]carbamoyl})amino]-N-[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]acetamide

IUPAC name

2-[benzyl({[2-(trifluoromethyl)phenyl]carbamoyl})amino]-N-[3-tert-butyl-1-(24-dimethylphenyl)-1H-pyrazol-5-yl]acetamide

SMILES

CC(C)(C)c(cc1NC(CN(Cc2ccccc2)C(Nc2c(C(F)(F)F)cccc2)=O)=O)nn1-c1c(C)cc(C)cc1

InChI

InChI=1S/C32H34F3N5O2/c1-21-15-16-26(22(2)17-21)40-28(18-27(38-40)31(3,4)5)37-29(41)20-39(19-23-11-7-6-8-12-23)30(42)36-25-14-10-9-13-24(25)32(33,34)35/h6-18H,19-20H2,1-5H3,(H,36,42)(H,37,41)

InChI Key

IIIYXMVXVYVFIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19716429

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

577.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.963

Distribution Coefficient, logD

7.963

Water Solubility, LogSw

-5.72

Polar Surface Area

61.584

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

V025-9554 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V025-9554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-9554?
Check Price and Availability of V025-9554, 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 V025-9554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-9554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-9554
  • 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 V025-9554 available by request