Y021-0621 Screening compound: 3-(6-methoxy-1,3-benzothiazol-2-yl)-1-phenylurea

Y021-0621 Screening compound: 3-(6-methoxy-1,3-benzothiazol-2-yl)-1-phenylurea
Y021-0621 Screening compound: 3-(6-methoxy-1,3-benzothiazol-2-yl)-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0621
3-(6-methoxy-1,3-benzothiazol-2-yl)-1-phenylurea

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

Y021-0621

Molecular Formula

C15H13N3O2S (C15 H13 N3 O2 S)

Compound Name

3-(6-methoxy-1,3-benzothiazol-2-yl)-1-phenylurea

IUPAC name

3-(6-methoxy-13-benzothiazol-2-yl)-1-phenylurea

SMILES

COc(cc1)cc2c1nc(NC(Nc1ccccc1)=O)s2

InChI

InChI=1S/C15H13N3O2S/c1-20-11-7-8-12-13(9-11)21-15(17-12)18-14(19)16-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)

InChI Key

JHBWYQRKOUBPCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00030234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.243

Distribution Coefficient, logD

4.243

Water Solubility, LogSw

-4.41

Polar Surface Area

49.847

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

Y021-0621 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y021-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0621?
Check Price and Availability of Y021-0621, 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 Y021-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0621
  • 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 Y021-0621 available by request