Y042-3359 Screening compound: 1-(4-chlorobenzyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide

Y042-3359 Screening compound: 1-(4-chlorobenzyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide
Y042-3359 Screening compound: 1-(4-chlorobenzyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3359
1-(4-chlorobenzyl)-N-(4-methyl-1,3-thiazol-2-yl)-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

Y042-3359

Molecular Formula

C16H16ClN3O2S (C16 H16 ClN3 O2 S)

Compound Name

1-(4-chlorobenzyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide

IUPAC name

1-[(4-chlorophenyl)methyl]-N-(4-methyl-13-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

SMILES

Cc1csc(NC(C(C2)CN(Cc(cc3)ccc3Cl)C2=O)=O)n1

InChI

InChI=1S/C16H16ClN3O2S/c1-10-9-23-16(18-10)19-15(22)12-6-14(21)20(8-12)7-11-2-4-13(17)5-3-11/h2-5,9,12H,6-8H2,1H3,(H,18,19,22)/t12-/m1/s1

InChI Key

GZCXISVTAVKRAM-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD12205868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.84

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

2.227

Distribution Coefficient, logD

2.183

Water Solubility, LogSw

-3.32

Polar Surface Area

50.378

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.25

Y042-3359 in Drug Discovery

Included in Screening Libraries

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 Y042-3359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3359?
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What is the minimum amount of Y042-3359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3359
  • 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 Y042-3359 available by request