Y031-0604 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

Y031-0604 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
Y031-0604 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0604
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

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

Y031-0604

Molecular Formula

C18H13N3O3S (C18 H13 N3 O3 S)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-(4-methyl-13-benzothiazol-2-yl)acetamide

SMILES

Cc1cccc2c1nc(NC(CN(C(c1c3cccc1)=O)C3=O)=O)s2

InChI

InChI=1S/C18H13N3O3S/c1-10-5-4-8-13-15(10)20-18(25-13)19-14(22)9-21-16(23)11-6-2-3-7-12(11)17(21)24/h2-8H,9H2,1H3,(H,19,20,22)

InChI Key

MDNSDWBRMYCHDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04420290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.401

Distribution Coefficient, logD

3.401

Water Solubility, LogSw

-3.70

Polar Surface Area

63.172

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

Y031-0604 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y031-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0604?
Check Price and Availability of Y031-0604, 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 Y031-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0604
  • 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 Y031-0604 available by request