4428-0240 Screening compound: (2Z)-N-benzyl-3-(1,3-diphenyl-1H-pyrazol-4-yl)-2-[(4-methylphenyl)formamido]prop-2-enamide

4428-0240 Screening compound: (2Z)-N-benzyl-3-(1,3-diphenyl-1H-pyrazol-4-yl)-2-[(4-methylphenyl)formamido]prop-2-enamide
4428-0240 Screening compound: (2Z)-N-benzyl-3-(1,3-diphenyl-1H-pyrazol-4-yl)-2-[(4-methylphenyl)formamido]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4428-0240
(2Z)-N-benzyl-3-(1,3-diphenyl-1H-pyrazol-4-yl)-2-[(4-methylphenyl)formamido]prop-2-enamide

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

4428-0240

Molecular Formula

C33H28N4O2 (C33 H28 N4 O2)

Compound Name

(2Z)-N-benzyl-3-(1,3-diphenyl-1H-pyrazol-4-yl)-2-[(4-methylphenyl)formamido]prop-2-enamide

IUPAC name

(2Z)-N-benzyl-3-(13-diphenyl-1H-pyrazol-4-yl)-2-[(4-methylphenyl)formamido]prop-2-enamide

SMILES

Cc(cc1)ccc1C(N/C(/C(NCc1ccccc1)=O)=C\c1cn(-c2ccccc2)nc1-c1ccccc1)=O

InChI

InChI=1S/C33H28N4O2/c1-24-17-19-27(20-18-24)32(38)35-30(33(39)34-22-25-11-5-2-6-12-25)21-28-23-37(29-15-9-4-10-16-29)36-31(28)26-13-7-3-8-14-26/h2-21,23H,22H2,1H3,(H,34,39)(H,35,38)

InChI Key

CKKMRNZMLMEGQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00523096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.813

Distribution Coefficient, logD

5.224

Water Solubility, LogSw

-5.54

Polar Surface Area

61.209

Acid Dissociation Constant (pKa)

6.94

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.10

4428-0240 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 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 4428-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4428-0240?
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What is the minimum amount of 4428-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4428-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4428-0240
  • 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 4428-0240 available by request