5492-4002 Screening compound: ethyl (5Z)-2-[(3-methylphenyl)amino]-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate

5492-4002 Screening compound: ethyl (5Z)-2-[(3-methylphenyl)amino]-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
5492-4002 Screening compound: ethyl (5Z)-2-[(3-methylphenyl)amino]-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5492-4002
ethyl (5Z)-2-[(3-methylphenyl)amino]-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-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

5492-4002

Molecular Formula

C24H25NO6S (C24 H25 NO6 S)

Compound Name

ethyl (5Z)-2-[(3-methylphenyl)amino]-4-oxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate

IUPAC name

ethyl (5Z)-2-[(3-methylphenyl)amino]-4-oxo-5-[(345-trimethoxyphenyl)methylidene]-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(C(C1=O)=C(Nc2cc(C)ccc2)S/C1=C\c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C24H25NO6S/c1-6-31-24(27)20-21(26)19(32-23(20)25-16-9-7-8-14(2)10-16)13-15-11-17(28-3)22(30-5)18(12-15)29-4/h7-13,25H,6H2,1-5H3

InChI Key

QHVBZTSMCANLNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.091

Distribution Coefficient, logD

5.084

Water Solubility, LogSw

-4.87

Polar Surface Area

65.095

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 5492-4002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5492-4002?
Check Price and Availability of 5492-4002, 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 5492-4002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5492-4002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5492-4002
  • 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 5492-4002 available by request