Y031-4184 Screening compound: N-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

Y031-4184 Screening compound: N-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
Y031-4184 Screening compound: N-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4184
N-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-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

Y031-4184

Molecular Formula

C17H23FN2O2 (C17 H23 FN2 O2)

Compound Name

N-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-tert-butyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

SMILES

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

InChI

InChI=1S/C17H23FN2O2/c1-17(2,3)19-16(22)13-10-15(21)20(11-13)9-8-12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3,(H,19,22)/t13-/m1/s1

InChI Key

BSIZWKCDPJMMGD-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD07401017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.38

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

1.794

Distribution Coefficient, logD

1.794

Water Solubility, LogSw

-2.28

Polar Surface Area

40.921

Acid Dissociation Constant (pKa)

14.48

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

Y031-4184 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 Y031-4184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4184?
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What is the minimum amount of Y031-4184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4184
  • 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 Y031-4184 available by request