Y031-4101 Screening compound: 1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

Y031-4101 Screening compound: 1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
Y031-4101 Screening compound: 1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4101
1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-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

Y031-4101

Molecular Formula

C18H22N2O4 (C18 H22 N2 O4)

Compound Name

1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-cyclopentyl-N-(23-dihydro-14-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

SMILES

O=C(C(C1)CN(C2CCCC2)C1=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C18H22N2O4/c21-17-9-12(11-20(17)14-3-1-2-4-14)18(22)19-13-5-6-15-16(10-13)24-8-7-23-15/h5-6,10,12,14H,1-4,7-9,11H2,(H,19,22)/t12-/m1/s1

InChI Key

QQLPJYGCGSAENY-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD08091015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.905

Distribution Coefficient, logD

0.904

Water Solubility, LogSw

-1.91

Polar Surface Area

56.102

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

Y031-4101 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y031-4101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4101?
Check Price and Availability of Y031-4101, 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 Y031-4101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4101
  • 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 Y031-4101 available by request