2082-0117 Screening compound: methyl 2-chloro-5-(5-{[(4Z)-1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate

2082-0117 Screening compound: methyl 2-chloro-5-(5-{[(4Z)-1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
2082-0117 Screening compound: methyl 2-chloro-5-(5-{[(4Z)-1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2082-0117
methyl 2-chloro-5-(5-{[(4Z)-1-(3-chlorophenyl)-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

2082-0117

Molecular Formula

C22H14Cl2N2O5 (C22 H14 Cl2 N2 O5)

Compound Name

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

IUPAC name

methyl 2-chloro-5-(5-{[(4Z)-1-(3-chlorophenyl)-35-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate

SMILES

COC(c(cc(cc1)-c2ccc(/C=C(/C(NN3c4cc(Cl)ccc4)=O)\C3=O)o2)c1Cl)=O

InChI

InChI=1S/C22H14Cl2N2O5/c1-30-22(29)16-9-12(5-7-18(16)24)19-8-6-15(31-19)11-17-20(27)25-26(21(17)28)14-4-2-3-13(23)10-14/h2-11H,1H3,(H,25,27)

InChI Key

GOJAWZVVJGTGLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.883

Distribution Coefficient, logD

4.511

Water Solubility, LogSw

-5.00

Polar Surface Area

71.503

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

2082-0117 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 2082-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2082-0117?
Check Price and Availability of 2082-0117, 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 2082-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2082-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2082-0117
  • 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 2082-0117 available by request