Y031-4183 Screening compound: 1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

Y031-4183 Screening compound: 1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
Y031-4183 Screening compound: 1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4183
1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)-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

Y031-4183

Molecular Formula

C21H23FN2O3 (C21 H23 FN2 O3)

Compound Name

1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

Cc(cc1)cc(NC(C(C2)CN(CCc(cc3)ccc3F)C2=O)=O)c1OC

InChI

InChI=1S/C21H23FN2O3/c1-14-3-8-19(27-2)18(11-14)23-21(26)16-12-20(25)24(13-16)10-9-15-4-6-17(22)7-5-15/h3-8,11,16H,9-10,12-13H2,1-2H3,(H,23,26)/t16-/m1/s1

InChI Key

KAUVCIQWQJLTRA-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD07401016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.265

Distribution Coefficient, logD

2.265

Water Solubility, LogSw

-2.91

Polar Surface Area

47.436

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

Y031-4183 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-4183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4183?
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What is the minimum amount of Y031-4183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4183
  • 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 Y031-4183 available by request