2000-0226 Screening compound: prop-2-en-1-yl 2-chloro-5-(5-{[(4Z)-1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate

2000-0226 Screening compound: prop-2-en-1-yl 2-chloro-5-(5-{[(4Z)-1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
2000-0226 Screening compound: prop-2-en-1-yl 2-chloro-5-(5-{[(4Z)-1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2000-0226
prop-2-en-1-yl 2-chloro-5-(5-{[(4Z)-1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-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

2000-0226

Molecular Formula

C24H15Cl3N2O5 (C24 H15 Cl3 N2 O5)

Compound Name

prop-2-en-1-yl 2-chloro-5-(5-{[(4Z)-1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

prop-2-en-1-yl 2-chloro-5-(5-{[(4Z)-1-(34-dichlorophenyl)-35-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate

SMILES

C=CCOC(c(cc(cc1)-c2ccc(/C=C(/C(NN3c(cc4)cc(Cl)c4Cl)=O)\C3=O)o2)c1Cl)=O

InChI

InChI=1S/C24H15Cl3N2O5/c1-2-9-33-24(32)16-10-13(3-6-18(16)25)21-8-5-15(34-21)12-17-22(30)28-29(23(17)31)14-4-7-19(26)20(27)11-14/h2-8,10-12H,1,9H2,(H,28,30)

InChI Key

GHTJWWCEIGGPBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01133789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.75

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

6.131

Distribution Coefficient, logD

5.024

Water Solubility, LogSw

-6.41

Polar Surface Area

71.377

Acid Dissociation Constant (pKa)

6.33

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

2000-0226 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 2000-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2000-0226?
Check Price and Availability of 2000-0226, 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 2000-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2000-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2000-0226
  • 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 2000-0226 available by request