Y031-4188 Screening compound: 1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide

Y031-4188 Screening compound: 1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
Y031-4188 Screening compound: 1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4188
1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[(pyridin-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

Y031-4188

Molecular Formula

C19H20FN3O2 (C19 H20 FN3 O2)

Compound Name

1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide

IUPAC name

1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide

SMILES

O=C(C(C1)CN(CCc(cc2)ccc2F)C1=O)NCc1ncccc1

InChI

InChI=1S/C19H20FN3O2/c20-16-6-4-14(5-7-16)8-10-23-13-15(11-18(23)24)19(25)22-12-17-3-1-2-9-21-17/h1-7,9,15H,8,10-13H2,(H,22,25)/t15-/m1/s1

InChI Key

HXHIGXLDUPZCCP-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD07401020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.39

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

0.909

Distribution Coefficient, logD

0.909

Water Solubility, LogSw

-1.64

Polar Surface Area

51.369

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

Y031-4188 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-4188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4188?
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What is the minimum amount of Y031-4188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4188
  • 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 Y031-4188 available by request