Y042-3959 Screening compound: 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-methyl-2-pyridyl)-5-oxo-3-pyrrolidinecarboxamide

Y042-3959 Screening compound: 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-methyl-2-pyridyl)-5-oxo-3-pyrrolidinecarboxamide
Y042-3959 Screening compound: 1-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-methyl-2-pyridyl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3959
1-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-methyl-2-pyridyl)-5-oxo-3-pyrrolidinecarboxamide

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

Y042-3959

Molecular Formula

C18H15ClF3N3O2 (C18 H15 ClF3 N3 O2)

Compound Name

1-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-methyl-2-pyridyl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

1-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-methylpyridin-2-yl)-5-oxopyrrolidine-3-carboxamide

SMILES

Cc1cccnc1NC(C(CC1=O)CN1c(cc1)cc(C(F)(F)F)c1Cl)=O

InChI

InChI=1S/C18H15ClF3N3O2/c1-10-3-2-6-23-16(10)24-17(27)11-7-15(26)25(9-11)12-4-5-14(19)13(8-12)18(20,21)22/h2-6,8,11H,7,9H2,1H3,(H,23,24,27)/t11-/m1/s1

InChI Key

IFVUICRFMBHXKZ-LLVKDONJSA-N

MDL Number (MFCD)

MFCD12214182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.426

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-3.83

Polar Surface Area

49.767

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

Y042-3959 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y042-3959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3959?
Check Price and Availability of Y042-3959, 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 Y042-3959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3959
  • 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 Y042-3959 available by request