8006-6903 Screening compound: ethyl (4Z)-2-methyl-5-oxo-4-(phenylmethylidene)-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate

8006-6903 Screening compound: ethyl (4Z)-2-methyl-5-oxo-4-(phenylmethylidene)-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
8006-6903 Screening compound: ethyl (4Z)-2-methyl-5-oxo-4-(phenylmethylidene)-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6903
ethyl (4Z)-2-methyl-5-oxo-4-(phenylmethylidene)-1-(prop-2-en-1-yl)-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

8006-6903

Molecular Formula

C18H19NO3 (C18 H19 NO3)

Compound Name

ethyl (4Z)-2-methyl-5-oxo-4-(phenylmethylidene)-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

ethyl (4Z)-2-methyl-5-oxo-4-(phenylmethylidene)-1-(prop-2-en-1-yl)-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CCOC(C(/C1=C/c2ccccc2)=C(C)N(CC=C)C1=O)=O

InChI

InChI=1S/C18H19NO3/c1-4-11-19-13(3)16(18(21)22-5-2)15(17(19)20)12-14-9-7-6-8-10-14/h4,6-10,12H,1,5,11H2,2-3H3

InChI Key

CWACJTFAMKXMOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00684429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

3.306

Water Solubility, LogSw

-3.36

Polar Surface Area

36.940

Acid Dissociation Constant (pKa)

27.54

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 8006-6903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6903?
Check Price and Availability of 8006-6903, 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 8006-6903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6903
  • 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 8006-6903 available by request