Y204-3041 Screening compound: N~5~-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide

Y204-3041 Screening compound: N~5~-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
Y204-3041 Screening compound: N~5~-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y204-3041
N~5~-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-benzodioxole-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

Y204-3041

Molecular Formula

C11H10N2O3S (C11 H10 N2 O3 S)

Compound Name

N~5~-(4,5-dihydro-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide

IUPAC name

N-(45-dihydro-13-thiazol-2-yl)-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)NC1=NCCS1

InChI

InChI=1S/C11H10N2O3S/c14-10(13-11-12-3-4-17-11)7-1-2-8-9(5-7)16-6-15-8/h1-2,5H,3-4,6H2,(H,12,13,14)

InChI Key

FMFPJRHIIFXEJM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.611

Distribution Coefficient, logD

1.600

Water Solubility, LogSw

-2.52

Polar Surface Area

49.892

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

Y204-3041 in Drug Discovery

Included in Screening Libraries

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

Human GPCR Annotated Library (5539 compounds)

Ion Channels Focused Library (26372 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 Y204-3041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y204-3041?
Check Price and Availability of Y204-3041, 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 Y204-3041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y204-3041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y204-3041
  • 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 Y204-3041 available by request