Y206-3077 Screening compound: N-(1,3-benzodioxol-5-yl)-N'-phenethylurea

Y206-3077 Screening compound: N-(1,3-benzodioxol-5-yl)-N'-phenethylurea
Y206-3077 Screening compound: N-(1,3-benzodioxol-5-yl)-N'-phenethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-3077
N-(1,3-benzodioxol-5-yl)-N'-phenethylurea

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

Y206-3077

Molecular Formula

C16H16N2O3 (C16 H16 N2 O3)

Compound Name

N-(1,3-benzodioxol-5-yl)-N'-phenethylurea

IUPAC name

3-(2H-13-benzodioxol-5-yl)-1-(2-phenylethyl)urea

SMILES

O=C(NCCc1ccccc1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C16H16N2O3/c19-16(17-9-8-12-4-2-1-3-5-12)18-13-6-7-14-15(10-13)21-11-20-14/h1-7,10H,8-9,11H2,(H2,17,18,19)

InChI Key

PWJBRKMZZJHLPK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.897

Distribution Coefficient, logD

2.897

Water Solubility, LogSw

-3.38

Polar Surface Area

50.820

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

Y206-3077 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y206-3077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-3077?
Check Price and Availability of Y206-3077, 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 Y206-3077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-3077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-3077
  • 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 Y206-3077 available by request