4031-2963 Screening compound: ethyl (5Z)-2-methyl-5-[(3-nitrophenyl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

4031-2963 Screening compound: ethyl (5Z)-2-methyl-5-[(3-nitrophenyl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
4031-2963 Screening compound: ethyl (5Z)-2-methyl-5-[(3-nitrophenyl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-2963
ethyl (5Z)-2-methyl-5-[(3-nitrophenyl)methylidene]-4-oxo-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

4031-2963

Molecular Formula

C15H14N2O5 (C15 H14 N2 O5)

Compound Name

ethyl (5Z)-2-methyl-5-[(3-nitrophenyl)methylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

ethyl (5Z)-2-methyl-5-[(3-nitrophenyl)methylidene]-4-oxo-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CCOC(C(C1=O)=C(C)N/C1=C\c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C15H14N2O5/c1-3-22-15(19)13-9(2)16-12(14(13)18)8-10-5-4-6-11(7-10)17(20)21/h4-8,16H,3H2,1-2H3

InChI Key

SAVDWZBTNLVTRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01988436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.743

Distribution Coefficient, logD

2.515

Water Solubility, LogSw

-3.05

Polar Surface Area

78.446

Acid Dissociation Constant (pKa)

7.56

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 4031-2963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-2963?
Check Price and Availability of 4031-2963, 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 4031-2963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-2963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-2963
  • 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 4031-2963 available by request