Y031-5541 Screening compound: 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[(oxolan-2-yl)methyl]pyrrolidine-3-carboxamide

Y031-5541 Screening compound: 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[(oxolan-2-yl)methyl]pyrrolidine-3-carboxamide
Y031-5541 Screening compound: 1-(2-methoxy-5-methylphenyl)-5-oxo-N-[(oxolan-2-yl)methyl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5541
1-(2-methoxy-5-methylphenyl)-5-oxo-N-[(oxolan-2-yl)methyl]pyrrolidine-3-carboxamide

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

Y031-5541

Molecular Formula

C18H24N2O4 (C18 H24 N2 O4)

Compound Name

1-(2-methoxy-5-methylphenyl)-5-oxo-N-[(oxolan-2-yl)methyl]pyrrolidine-3-carboxamide

IUPAC name

1-(2-methoxy-5-methylphenyl)-5-oxo-N-[(oxolan-2-yl)methyl]pyrrolidine-3-carboxamide

SMILES

Cc(cc1)cc(N(CC(C2)C(NCC3OCCC3)=O)C2=O)c1OC

InChI

InChI=1S/C18H24N2O4/c1-12-5-6-16(23-2)15(8-12)20-11-13(9-17(20)21)18(22)19-10-14-4-3-7-24-14/h5-6,8,13-14H,3-4,7,9-11H2,1-2H3,(H,19,22)

InChI Key

VQGLMYCXGNFIEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09432003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.120

Distribution Coefficient, logD

1.120

Water Solubility, LogSw

-1.98

Polar Surface Area

57.385

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

Y031-5541 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y031-5541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5541?
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What is the minimum amount of Y031-5541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5541
  • 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 Y031-5541 available by request