5641-0599 Screening compound: methyl (4Z)-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate

5641-0599 Screening compound: methyl (4Z)-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
5641-0599 Screening compound: methyl (4Z)-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-oxo-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5641-0599
methyl (4Z)-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-oxo-4-[(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

5641-0599

Molecular Formula

C21H21NO4S (C21 H21 NO4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CCc(cc1)ccc1OC)C1=O)=C(C(OC)=O)/C1=C/c1cccs1

InChI

InChI=1S/C21H21NO4S/c1-14-19(21(24)26-3)18(13-17-5-4-12-27-17)20(23)22(14)11-10-15-6-8-16(25-2)9-7-15/h4-9,12-13H,10-11H2,1-3H3

InChI Key

PUURBTDLVXVWDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03232315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.472

Distribution Coefficient, logD

3.472

Water Solubility, LogSw

-3.65

Polar Surface Area

45.651

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 5641-0599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5641-0599?
Check Price and Availability of 5641-0599, 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 5641-0599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5641-0599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5641-0599
  • 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 5641-0599 available by request