3697-0191 Screening compound: ethyl 2-chloro-5-(5-{[(4Z)-1-(4-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate

3697-0191 Screening compound: ethyl 2-chloro-5-(5-{[(4Z)-1-(4-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
3697-0191 Screening compound: ethyl 2-chloro-5-(5-{[(4Z)-1-(4-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3697-0191
ethyl 2-chloro-5-(5-{[(4Z)-1-(4-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

3697-0191

Molecular Formula

C23H16Cl2N2O5 (C23 H16 Cl2 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H16Cl2N2O5/c1-2-31-23(30)17-11-13(3-9-19(17)25)20-10-8-16(32-20)12-18-21(28)26-27(22(18)29)15-6-4-14(24)5-7-15/h3-12H,2H2,1H3,(H,26,28)

InChI Key

UZEHFKCNLKOEKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.346

Distribution Coefficient, logD

4.950

Water Solubility, LogSw

-5.88

Polar Surface Area

71.083

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

-7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 3697-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3697-0191?
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What is the minimum amount of 3697-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3697-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3697-0191
  • 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 3697-0191 available by request