8015-5083 Screening compound: ethyl 2-(benzoylamino)-4-oxo-5-[(Z)-1-(3,4,5-trimethoxyphenyl)methylidene]-3(4H)-thiophenecarboxylate

8015-5083 Screening compound: ethyl 2-(benzoylamino)-4-oxo-5-[(Z)-1-(3,4,5-trimethoxyphenyl)methylidene]-3(4H)-thiophenecarboxylate
8015-5083 Screening compound: ethyl 2-(benzoylamino)-4-oxo-5-[(Z)-1-(3,4,5-trimethoxyphenyl)methylidene]-3(4H)-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5083
ethyl 2-(benzoylamino)-4-oxo-5-[(Z)-1-(3,4,5-trimethoxyphenyl)methylidene]-3(4H)-thiophenecarboxylate

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

8015-5083

Molecular Formula

C24H23NO7S (C24 H23 NO7 S)

Compound Name

ethyl 2-(benzoylamino)-4-oxo-5-[(Z)-1-(3,4,5-trimethoxyphenyl)methylidene]-3(4H)-thiophenecarboxylate

IUPAC name

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

SMILES

CCOC(C(C1=O)=C(NC(c2ccccc2)=O)S/C1=C\c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C24H23NO7S/c1-5-32-24(28)19-20(26)18(33-23(19)25-22(27)15-9-7-6-8-10-15)13-14-11-16(29-2)21(31-4)17(12-14)30-3/h6-13H,5H2,1-4H3,(H,25,27)

InChI Key

YRVXCOMRNUVGJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.906

Distribution Coefficient, logD

1.050

Water Solubility, LogSw

-4.00

Polar Surface Area

79.274

Acid Dissociation Constant (pKa)

4.54

Base Dissociation Constant (pKb)

-6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.83

References: we are preparing a list of scientific research reports with 8015-5083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5083?
Check Price and Availability of 8015-5083, 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 8015-5083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5083
  • 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 8015-5083 available by request