8008-8133 Screening compound: 2-chloro-5-(5-{[(4Z)-1-(4-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid

8008-8133 Screening compound: 2-chloro-5-(5-{[(4Z)-1-(4-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
8008-8133 Screening compound: 2-chloro-5-(5-{[(4Z)-1-(4-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8133
2-chloro-5-(5-{[(4Z)-1-(4-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid

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

8008-8133

Molecular Formula

C21H12Cl2N2O5 (C21 H12 Cl2 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

OC(c(cc(cc1)-c2ccc(/C=C(/C(NN3c(cc4)ccc4Cl)=O)\C3=O)o2)c1Cl)=O

InChI

InChI=1S/C21H12Cl2N2O5/c22-12-2-4-13(5-3-12)25-20(27)16(19(26)24-25)10-14-6-8-18(30-14)11-1-7-17(23)15(9-11)21(28)29/h1-10H,(H,24,26)(H,28,29)

InChI Key

SPQXOQXFQCQUBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.458

Distribution Coefficient, logD

0.027

Water Solubility, LogSw

-4.56

Polar Surface Area

78.738

Acid Dissociation Constant (pKa)

2.97

Base Dissociation Constant (pKb)

-7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8008-8133 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8008-8133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8133?
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What is the minimum amount of 8008-8133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8133
  • 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 8008-8133 available by request