4357-1871 Screening compound: 4-[(4E)-4-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

4357-1871 Screening compound: 4-[(4E)-4-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
4357-1871 Screening compound: 4-[(4E)-4-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4357-1871
4-[(4E)-4-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

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

4357-1871

Molecular Formula

C26H21BrN2O5 (C26 H21 BrN2 O5)

Compound Name

4-[(4E)-4-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

IUPAC name

4-[(4E)-4-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-45-dihydro-1H-pyrazol-1-yl]benzoic acid

SMILES

CC(/C(/C1=O)=C\c(cc2OC)cc(Br)c2OCc2ccccc2)=NN1c(cc1)ccc1C(O)=O

InChI

InChI=1S/C26H21BrN2O5/c1-16-21(25(30)29(28-16)20-10-8-19(9-11-20)26(31)32)12-18-13-22(27)24(23(14-18)33-2)34-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,31,32)

InChI Key

CQDIEIYNIAAANQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02907394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.530

Distribution Coefficient, logD

3.135

Water Solubility, LogSw

-5.41

Polar Surface Area

69.026

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

4357-1871 in Drug Discovery

Included in Screening Libraries

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 4357-1871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4357-1871?
Check Price and Availability of 4357-1871, 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 4357-1871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4357-1871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4357-1871
  • 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 4357-1871 available by request