3358-3501 Screening compound: 2-[(4-{[(4E)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzonitrile

3358-3501 Screening compound: 2-[(4-{[(4E)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzonitrile
3358-3501 Screening compound: 2-[(4-{[(4E)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3358-3501
2-[(4-{[(4E)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzonitrile

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

3358-3501

Molecular Formula

C26H21N3O4 (C26 H21 N3 O4)

Compound Name

2-[(4-{[(4E)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzonitrile

IUPAC name

2-[(4-{[(4E)-35-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzonitrile

SMILES

CCOc(cc(/C=C(\C(NN1c2ccccc2)=O)/C1=O)cc1)c1OCc(cccc1)c1C#N

InChI

InChI=1S/C26H21N3O4/c1-2-32-24-15-18(12-13-23(24)33-17-20-9-7-6-8-19(20)16-27)14-22-25(30)28-29(26(22)31)21-10-4-3-5-11-21/h3-15H,2,17H2,1H3,(H,28,30)

InChI Key

FLTLRSVRHUSDDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.214

Distribution Coefficient, logD

3.152

Water Solubility, LogSw

-3.58

Polar Surface Area

74.341

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-7.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with 3358-3501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3358-3501?
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What is the minimum amount of 3358-3501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3358-3501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3358-3501
  • 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 3358-3501 available by request