3667-0093 Screening compound: methyl 4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoate

3667-0093 Screening compound: methyl 4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoate
3667-0093 Screening compound: methyl 4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3667-0093
methyl 4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoate

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

3667-0093

Molecular Formula

C19H17NO2 (C19 H17 NO2)

Compound Name

methyl 4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoate

IUPAC name

methyl 4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoate

SMILES

Cc1ccc(-c2ccccc2)n1-c(cc1)ccc1C(OC)=O

InChI

InChI=1S/C19H17NO2/c1-14-8-13-18(15-6-4-3-5-7-15)20(14)17-11-9-16(10-12-17)19(21)22-2/h3-13H,1-2H3

InChI Key

MFKNZZWXJUUFHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02193546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.815

Distribution Coefficient, logD

4.815

Water Solubility, LogSw

-4.74

Polar Surface Area

23.059

Acid Dissociation Constant (pKa)

31.98

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

3667-0093 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3667-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3667-0093?
Check Price and Availability of 3667-0093, 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 3667-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3667-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3667-0093
  • 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 3667-0093 available by request