Y031-4850 Screening compound: 1-(2,5-dimethoxyphenyl)-5-oxo-N-[(oxolan-2-yl)methyl]pyrrolidine-3-carboxamide

Y031-4850 Screening compound: 1-(2,5-dimethoxyphenyl)-5-oxo-N-[(oxolan-2-yl)methyl]pyrrolidine-3-carboxamide
Y031-4850 Screening compound: 1-(2,5-dimethoxyphenyl)-5-oxo-N-[(oxolan-2-yl)methyl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4850
1-(2,5-dimethoxyphenyl)-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

Y031-4850

Molecular Formula

C18H24N2O5 (C18 H24 N2 O5)

Compound Name

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

IUPAC name

1-(25-dimethoxyphenyl)-5-oxo-N-[(oxolan-2-yl)methyl]pyrrolidine-3-carboxamide

SMILES

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

InChI

InChI=1S/C18H24N2O5/c1-23-13-5-6-16(24-2)15(9-13)20-11-12(8-17(20)21)18(22)19-10-14-4-3-7-25-14/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3,(H,19,22)

InChI Key

UGHZQCMJTCOZQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09427648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.976

Distribution Coefficient, logD

0.976

Water Solubility, LogSw

-1.99

Polar Surface Area

64.929

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.60

Y031-4850 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y031-4850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4850?
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What is the minimum amount of Y031-4850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4850
  • 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 Y031-4850 available by request