3039-0435 Screening compound: methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate

3039-0435 Screening compound: methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate
3039-0435 Screening compound: methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3039-0435
methyl 1-benzyl-5-oxopyrrolidine-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

3039-0435

Molecular Formula

C13H15NO3 (C13 H15 NO3)

Compound Name

methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate

IUPAC name

methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate

SMILES

COC(C(C1)CN(Cc2ccccc2)C1=O)=O

InChI

InChI=1S/C13H15NO3/c1-17-13(16)11-7-12(15)14(9-11)8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m1/s1

InChI Key

WTRWSSDZHQOPJI-LLVKDONJSA-N

MDL Number (MFCD)

MFCD00003196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.749

Distribution Coefficient, logD

0.749

Water Solubility, LogSw

-1.34

Polar Surface Area

38.608

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

-4.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

3039-0435 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Structure:
  • Pool
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3039-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3039-0435?
Check Price and Availability of 3039-0435, 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 3039-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3039-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3039-0435
  • 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 3039-0435 available by request