L709-2413 Screening compound: ethyl 1-[5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperidine-4-carboxylate

L709-2413 Screening compound: ethyl 1-[5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperidine-4-carboxylate
L709-2413 Screening compound: ethyl 1-[5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L709-2413
ethyl 1-[5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperidine-4-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

L709-2413

Molecular Formula

C22H28N2O3 (C22 H28 N2 O3)

Compound Name

ethyl 1-[5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[5-(34-dimethylphenyl)-2-methyl-1H-pyrrole-3-carbonyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c1c(C)[nH]c(-c2cc(C)c(C)cc2)c1)=O)=O

InChI

InChI=1S/C22H28N2O3/c1-5-27-22(26)17-8-10-24(11-9-17)21(25)19-13-20(23-16(19)4)18-7-6-14(2)15(3)12-18/h6-7,12-13,17,23H,5,8-11H2,1-4H3

InChI Key

YMMGAAVWJDUWLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15133480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.269

Distribution Coefficient, logD

4.269

Water Solubility, LogSw

-4.09

Polar Surface Area

47.580

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

-2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

L709-2413 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L709-2413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L709-2413?
Check Price and Availability of L709-2413, 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 L709-2413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L709-2413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L709-2413
  • 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 L709-2413 available by request