4357-0842 Screening compound: 5-(5-{[(4E)-1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione

4357-0842 Screening compound: 5-(5-{[(4E)-1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione
4357-0842 Screening compound: 5-(5-{[(4E)-1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4357-0842
5-(5-{[(4E)-1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2,3-dihydro-1H-isoindole-1,3-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

4357-0842

Molecular Formula

C22H11Cl2N3O5 (C22 H11 Cl2 N3 O5)

Compound Name

5-(5-{[(4E)-1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

5-(5-{[(4E)-1-(34-dichlorophenyl)-35-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-23-dihydro-1H-isoindole-13-dione

SMILES

O=C(/C(/C1=O)=C\c2ccc(-c(cc3)cc(C(N4)=O)c3C4=O)o2)NN1c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C22H11Cl2N3O5/c23-16-5-2-11(8-17(16)24)27-22(31)15(21(30)26-27)9-12-3-6-18(32-12)10-1-4-13-14(7-10)20(29)25-19(13)28/h1-9H,(H,26,30)(H,25,28,29)

InChI Key

QPORCHKCDQHFKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.25

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.820

Distribution Coefficient, logD

2.713

Water Solubility, LogSw

-4.46

Polar Surface Area

89.095

Acid Dissociation Constant (pKa)

6.33

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4357-0842 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4357-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4357-0842?
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What is the minimum amount of 4357-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4357-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4357-0842
  • 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 4357-0842 available by request