4399-0313 Screening compound: (4E)-4-({3-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-3,5-dione

4399-0313 Screening compound: (4E)-4-({3-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-3,5-dione
4399-0313 Screening compound: (4E)-4-({3-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4399-0313
(4E)-4-({3-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-3,5-dione

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

4399-0313

Molecular Formula

C25H21ClN2O4 (C25 H21 ClN2 O4)

Compound Name

(4E)-4-({3-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-3,5-dione

IUPAC name

(4E)-4-({3-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl}methylidene)-1-phenylpyrazolidine-35-dione

SMILES

Cc1c(COc(c(OC)cc(/C=C(\C(NN2c3ccccc3)=O)/C2=O)c2)c2Cl)cccc1

InChI

InChI=1S/C25H21ClN2O4/c1-16-8-6-7-9-18(16)15-32-23-21(26)13-17(14-22(23)31-2)12-20-24(29)27-28(25(20)30)19-10-4-3-5-11-19/h3-14H,15H2,1-2H3,(H,27,29)

InChI Key

MARBATGQZTXFPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.117

Distribution Coefficient, logD

5.054

Water Solubility, LogSw

-5.69

Polar Surface Area

57.791

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-7.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

4399-0313 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 4399-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4399-0313?
Check Price and Availability of 4399-0313, 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 4399-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4399-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4399-0313
  • 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 4399-0313 available by request