L413-0225 Screening compound: ethyl 1-{4-[1-(2-methylpropanoyl)-2,3-dihydro-1H-indol-5-yl]benzoyl}piperidine-4-carboxylate

L413-0225 Screening compound: ethyl 1-{4-[1-(2-methylpropanoyl)-2,3-dihydro-1H-indol-5-yl]benzoyl}piperidine-4-carboxylate
L413-0225 Screening compound: ethyl 1-{4-[1-(2-methylpropanoyl)-2,3-dihydro-1H-indol-5-yl]benzoyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L413-0225
ethyl 1-{4-[1-(2-methylpropanoyl)-2,3-dihydro-1H-indol-5-yl]benzoyl}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

L413-0225

Molecular Formula

C27H32N2O4 (C27 H32 N2 O4)

Compound Name

ethyl 1-{4-[1-(2-methylpropanoyl)-2,3-dihydro-1H-indol-5-yl]benzoyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{4-[1-(2-methylpropanoyl)-23-dihydro-1H-indol-5-yl]benzoyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c(cc1)ccc1-c(cc1)cc(CC2)c1N2C(C(C)C)=O)=O)=O

InChI

InChI=1S/C27H32N2O4/c1-4-33-27(32)21-11-14-28(15-12-21)26(31)20-7-5-19(6-8-20)22-9-10-24-23(17-22)13-16-29(24)25(30)18(2)3/h5-10,17-18,21H,4,11-16H2,1-3H3

InChI Key

APMIOBCIOGMUTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.288

Distribution Coefficient, logD

4.288

Water Solubility, LogSw

-4.29

Polar Surface Area

53.319

Acid Dissociation Constant (pKa)

21.07

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

L413-0225 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Bromodomain Modulators Library (5801 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L413-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L413-0225?
Check Price and Availability of L413-0225, 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 L413-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L413-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L413-0225
  • 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 L413-0225 available by request