4357-3120 Screening compound: 3-(5-{[(4Z)-1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid

4357-3120 Screening compound: 3-(5-{[(4Z)-1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
4357-3120 Screening compound: 3-(5-{[(4Z)-1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4357-3120
3-(5-{[(4Z)-1-(3,4-dichlorophenyl)-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

4357-3120

Molecular Formula

C21H12Cl2N2O5 (C21 H12 Cl2 N2 O5)

Compound Name

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

IUPAC name

3-(5-{[(4Z)-1-(34-dichlorophenyl)-35-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

OC(c1cccc(-c2ccc(/C=C(/C(NN3c(cc4)cc(Cl)c4Cl)=O)\C3=O)o2)c1)=O

InChI

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

InChI Key

IHYWLSDTYNUGHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01785306

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

4.814

Distribution Coefficient, logD

1.301

Water Solubility, LogSw

-4.56

Polar Surface Area

78.738

Acid Dissociation Constant (pKa)

3.89

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 4357-3120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4357-3120?
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What is the minimum amount of 4357-3120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4357-3120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4357-3120
  • 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 4357-3120 available by request