R152-1902 Screening compound: 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

R152-1902 Screening compound: 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
R152-1902 Screening compound: 1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R152-1902
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

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

R152-1902

Molecular Formula

C13H15NO4 (C13 H15 NO4)

Compound Name

1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

IUPAC name

1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

SMILES

COc1c(CN(CC(C2)C(O)=O)C2=O)cccc1

InChI

InChI=1S/C13H15NO4/c1-18-11-5-3-2-4-9(11)7-14-8-10(13(16)17)6-12(14)15/h2-5,10H,6-8H2,1H3,(H,16,17)/t10-/m1/s1

InChI Key

HUZIUKRMHVQZMF-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD02324863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.341

Distribution Coefficient, logD

-2.208

Water Solubility, LogSw

-1.47

Polar Surface Area

53.473

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

R152-1902 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with R152-1902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R152-1902?
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What is the minimum amount of R152-1902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R152-1902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R152-1902
  • 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 R152-1902 available by request