8018-5721 Screening compound: ethyl 5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate

8018-5721 Screening compound: ethyl 5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate
8018-5721 Screening compound: ethyl 5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5721
ethyl 5-(4-methoxyphenyl)-1,2-dimethyl-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

8018-5721

Molecular Formula

C16H19NO3 (C16 H19 NO3)

Compound Name

ethyl 5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 5-(4-methoxyphenyl)-12-dimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)n(C)c(-c(cc2)ccc2OC)c1)=O

InChI

InChI=1S/C16H19NO3/c1-5-20-16(18)14-10-15(17(3)11(14)2)12-6-8-13(19-4)9-7-12/h6-10H,5H2,1-4H3

InChI Key

MCMXXKMEPLECEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.689

Distribution Coefficient, logD

3.689

Water Solubility, LogSw

-4.02

Polar Surface Area

30.297

Acid Dissociation Constant (pKa)

30.13

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

8018-5721 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-5721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5721?
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What is the minimum amount of 8018-5721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5721
  • 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 8018-5721 available by request