4031-2739 Screening compound: methyl (5Z)-1-(4-chlorophenyl)-2-methyl-4-oxo-5-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate

4031-2739 Screening compound: methyl (5Z)-1-(4-chlorophenyl)-2-methyl-4-oxo-5-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
4031-2739 Screening compound: methyl (5Z)-1-(4-chlorophenyl)-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 4031-2739
methyl (5Z)-1-(4-chlorophenyl)-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

4031-2739

Molecular Formula

C18H14ClNO3S (C18 H14 ClNO3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(N(/C1=C\c2cccs2)c(cc2)ccc2Cl)=C(C(OC)=O)C1=O

InChI

InChI=1S/C18H14ClNO3S/c1-11-16(18(22)23-2)17(21)15(10-14-4-3-9-24-14)20(11)13-7-5-12(19)6-8-13/h3-10H,1-2H3

InChI Key

AUSRNKVHPZSTFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01987868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.940

Distribution Coefficient, logD

3.940

Water Solubility, LogSw

-4.44

Polar Surface Area

36.430

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4031-2739 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4031-2739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-2739?
Check Price and Availability of 4031-2739, 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 4031-2739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-2739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-2739
  • 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 4031-2739 available by request