Y031-4198 Screening compound: 1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(propan-2-yl)pyrrolidine-3-carboxamide

Y031-4198 Screening compound: 1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(propan-2-yl)pyrrolidine-3-carboxamide
Y031-4198 Screening compound: 1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(propan-2-yl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4198
1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(propan-2-yl)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

Y031-4198

Molecular Formula

C16H21FN2O2 (C16 H21 FN2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(C(C1)CN(CCc(cc2)ccc2F)C1=O)=O

InChI

InChI=1S/C16H21FN2O2/c1-11(2)18-16(21)13-9-15(20)19(10-13)8-7-12-3-5-14(17)6-4-12/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)/t13-/m1/s1

InChI Key

OKBLYKAGTQHBPL-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD07401028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.173

Distribution Coefficient, logD

1.173

Water Solubility, LogSw

-1.94

Polar Surface Area

41.072

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

Y031-4198 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y031-4198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4198?
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What is the minimum amount of Y031-4198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4198
  • 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 Y031-4198 available by request