K815-0037 Screening compound: ETHYL 2,5-DIMETHYL-1-(2-PHENYLETHYL)-1H-PYRROLE-3-CARBOXYLATE

K815-0037 Screening compound: ETHYL 2,5-DIMETHYL-1-(2-PHENYLETHYL)-1H-PYRROLE-3-CARBOXYLATE
K815-0037 Screening compound: ETHYL 2,5-DIMETHYL-1-(2-PHENYLETHYL)-1H-PYRROLE-3-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound K815-0037
ETHYL 2,5-DIMETHYL-1-(2-PHENYLETHYL)-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

K815-0037

Molecular Formula

C17H21NO2 (C17 H21 NO2)

Compound Name

ETHYL 2,5-DIMETHYL-1-(2-PHENYLETHYL)-1H-PYRROLE-3-CARBOXYLATE

IUPAC name

n/a

SMILES

CCOC(c1c(C)n(CCc2ccccc2)c(C)c1)=O

InChI

InChI=1S/C17H21NO2/c1-4-20-17(19)16-12-13(2)18(14(16)3)11-10-15-8-6-5-7-9-15/h5-9,12H,4,10-11H2,1-3H3

InChI Key

GTCXPJMNEVMKOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03288495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.784

Distribution Coefficient, logD

3.784

Water Solubility, LogSw

-3.84

Polar Surface Area

22.892

Acid Dissociation Constant (pKa)

25.66

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.00

K815-0037 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K815-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K815-0037?
Check Price and Availability of K815-0037, 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 K815-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K815-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K815-0037
  • 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 K815-0037 available by request