4357-1571 Screening compound: ethyl 4-[(4E)-4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate

4357-1571 Screening compound: ethyl 4-[(4E)-4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate
4357-1571 Screening compound: ethyl 4-[(4E)-4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4357-1571
ethyl 4-[(4E)-4-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate

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

4357-1571

Molecular Formula

C28H26N2O5 (C28 H26 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1N(C1=O)N=C(C)/C1=C\c(cc1)cc(OC)c1OCc1ccccc1)=O

InChI

InChI=1S/C28H26N2O5/c1-4-34-28(32)22-11-13-23(14-12-22)30-27(31)24(19(2)29-30)16-21-10-15-25(26(17-21)33-3)35-18-20-8-6-5-7-9-20/h5-17H,4,18H2,1-3H3

InChI Key

HLTFTCVHTNJBHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02907120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.328

Distribution Coefficient, logD

5.328

Water Solubility, LogSw

-5.46

Polar Surface Area

61.285

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

-7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with 4357-1571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4357-1571?
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What is the minimum amount of 4357-1571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4357-1571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4357-1571
  • 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 4357-1571 available by request