5080-2601 Screening compound: ethyl (5E)-2-methyl-4-oxo-5-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate

5080-2601 Screening compound: ethyl (5E)-2-methyl-4-oxo-5-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
5080-2601 Screening compound: ethyl (5E)-2-methyl-4-oxo-5-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5080-2601
ethyl (5E)-2-methyl-4-oxo-5-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-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

5080-2601

Molecular Formula

C13H13NO3S (C13 H13 NO3 S)

Compound Name

ethyl (5E)-2-methyl-4-oxo-5-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

ethyl (5E)-2-methyl-4-oxo-5-[(thiophen-2-yl)methylidene]-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CCOC(C(C1=O)=C(C)N/C1=C/c1cccs1)=O

InChI

InChI=1S/C13H13NO3S/c1-3-17-13(16)11-8(2)14-10(12(11)15)7-9-5-4-6-18-9/h4-7,14H,3H2,1-2H3

InChI Key

XSCHNBALAGCQME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.589

Distribution Coefficient, logD

2.572

Water Solubility, LogSw

-2.98

Polar Surface Area

46.083

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 5080-2601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5080-2601?
Check Price and Availability of 5080-2601, 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 5080-2601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5080-2601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5080-2601
  • 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 5080-2601 available by request