4302-2429 Screening compound: methyl (5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

4302-2429 Screening compound: methyl (5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
4302-2429 Screening compound: methyl (5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4302-2429
methyl (5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

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

4302-2429

Molecular Formula

C19H15NO4S (C19 H15 NO4 S)

Compound Name

methyl (5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

IUPAC name

methyl (5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-(phenylamino)-45-dihydrothiophene-3-carboxylate

SMILES

COC(C(C1=O)=C(Nc2ccccc2)S/C1=C\c1cc(O)ccc1)=O

InChI

InChI=1S/C19H15NO4S/c1-24-19(23)16-17(22)15(11-12-6-5-9-14(21)10-12)25-18(16)20-13-7-3-2-4-8-13/h2-11,20-21H,1H3

InChI Key

QACUBQWCGAZUDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03139169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.717

Distribution Coefficient, logD

3.706

Water Solubility, LogSw

-3.78

Polar Surface Area

60.154

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with 4302-2429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4302-2429?
Check Price and Availability of 4302-2429, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4302-2429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4302-2429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4302-2429
  • 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 4302-2429 available by request