5648-3079 Screening compound: ethyl (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

5648-3079 Screening compound: ethyl (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
5648-3079 Screening compound: ethyl (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5648-3079
ethyl (5Z)-5-[(3-bromo-4-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

5648-3079

Molecular Formula

C20H16BrNO4S (C20 H16 BrNO4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C1=O)=C(Nc2ccccc2)S/C1=C\c(cc1)cc(Br)c1O)=O

InChI

InChI=1S/C20H16BrNO4S/c1-2-26-20(25)17-18(24)16(11-12-8-9-15(23)14(21)10-12)27-19(17)22-13-6-4-3-5-7-13/h3-11,22-23H,2H2,1H3

InChI Key

KGOHBNIEKZBZLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03269849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.868

Distribution Coefficient, logD

4.829

Water Solubility, LogSw

-4.22

Polar Surface Area

58.665

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 5648-3079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5648-3079?
Check Price and Availability of 5648-3079, 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 5648-3079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5648-3079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5648-3079
  • 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 5648-3079 available by request