4357-3102 Screening compound: methyl 3-(5-{[(4E)-1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate

4357-3102 Screening compound: methyl 3-(5-{[(4E)-1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
4357-3102 Screening compound: methyl 3-(5-{[(4E)-1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4357-3102
methyl 3-(5-{[(4E)-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

4357-3102

Molecular Formula

C22H14Cl2N2O5 (C22 H14 Cl2 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

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

InChI Key

GVISBBDMUJJWKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01882771

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

4.961

Distribution Coefficient, logD

3.854

Water Solubility, LogSw

-5.20

Polar Surface Area

71.503

Acid Dissociation Constant (pKa)

6.33

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 4357-3102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4357-3102?
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What is the minimum amount of 4357-3102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4357-3102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4357-3102
  • 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 4357-3102 available by request