Y041-3356 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide

Y041-3356 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
Y041-3356 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3356
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-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

Y041-3356

Molecular Formula

C17H15N3O3S (C17 H15 N3 O3 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-methyl-2-(1H-pyrrol-1-yl)-13-thiazole-5-carboxamide

SMILES

Cc1c(C(NCc(cc2)cc3c2OCO3)=O)sc(-n2cccc2)n1

InChI

InChI=1S/C17H15N3O3S/c1-11-15(24-17(19-11)20-6-2-3-7-20)16(21)18-9-12-4-5-13-14(8-12)23-10-22-13/h2-8H,9-10H2,1H3,(H,18,21)

InChI Key

LTRLDUKSKWRSME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12201194

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

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.426

Distribution Coefficient, logD

3.421

Water Solubility, LogSw

-3.77

Polar Surface Area

56.150

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

Y041-3356 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y041-3356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3356?
Check Price and Availability of Y041-3356, 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 Y041-3356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3356
  • 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 Y041-3356 available by request