5648-3218 Screening compound: methyl 2-[(5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate

5648-3218 Screening compound: methyl 2-[(5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate
5648-3218 Screening compound: methyl 2-[(5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5648-3218
methyl 2-[(5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate

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

5648-3218

Molecular Formula

C23H17ClN2O4S (C23 H17 ClN2 O4 S)

Compound Name

methyl 2-[(5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate

IUPAC name

methyl 2-[(5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]acetate

SMILES

COC(CN(/C(/C(N1c2ccccc2)=O)=C\c2ccc(-c(cc3)ccc3Cl)o2)C1=S)=O

InChI

InChI=1S/C23H17ClN2O4S/c1-29-21(27)14-25-19(22(28)26(23(25)31)17-5-3-2-4-6-17)13-18-11-12-20(30-18)15-7-9-16(24)10-8-15/h2-13H,14H2,1H3

InChI Key

RKACAZVJKBNBEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03719884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.681

Distribution Coefficient, logD

4.681

Water Solubility, LogSw

-4.94

Polar Surface Area

45.684

Acid Dissociation Constant (pKa)

26.24

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 5648-3218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5648-3218?
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What is the minimum amount of 5648-3218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5648-3218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5648-3218
  • 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 5648-3218 available by request