8013-7411 Screening compound: ethyl 1-[2-(2,2-diphenylacetamido)benzoyl]piperidine-4-carboxylate

8013-7411 Screening compound: ethyl 1-[2-(2,2-diphenylacetamido)benzoyl]piperidine-4-carboxylate
8013-7411 Screening compound: ethyl 1-[2-(2,2-diphenylacetamido)benzoyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7411
ethyl 1-[2-(2,2-diphenylacetamido)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

8013-7411

Molecular Formula

C29H30N2O4 (C29 H30 N2 O4)

Compound Name

ethyl 1-[2-(2,2-diphenylacetamido)benzoyl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[2-(22-diphenylacetamido)benzoyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c(cccc1)c1NC(C(c1ccccc1)c1ccccc1)=O)=O)=O

InChI

InChI=1S/C29H30N2O4/c1-2-35-29(34)23-17-19-31(20-18-23)28(33)24-15-9-10-16-25(24)30-27(32)26(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,23,26H,2,17-20H2,1H3,(H,30,32)

InChI Key

MBCUPYJIROZRHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03369780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.790

Distribution Coefficient, logD

4.740

Water Solubility, LogSw

-4.49

Polar Surface Area

59.762

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

8013-7411 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8013-7411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7411?
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What is the minimum amount of 8013-7411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7411
  • 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 8013-7411 available by request