Y205-1720 Screening compound: N-(1,3-benzodioxol-5-yl)-N'-(3-pyridylmethyl)urea

Y205-1720 Screening compound: N-(1,3-benzodioxol-5-yl)-N'-(3-pyridylmethyl)urea
Y205-1720 Screening compound: N-(1,3-benzodioxol-5-yl)-N'-(3-pyridylmethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-1720
N-(1,3-benzodioxol-5-yl)-N'-(3-pyridylmethyl)urea

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

Y205-1720

Molecular Formula

C14H13N3O3 (C14 H13 N3 O3)

Compound Name

N-(1,3-benzodioxol-5-yl)-N'-(3-pyridylmethyl)urea

IUPAC name

3-(2H-13-benzodioxol-5-yl)-1-[(pyridin-3-yl)methyl]urea

SMILES

O=C(NCc1cnccc1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C14H13N3O3/c18-14(16-8-10-2-1-5-15-7-10)17-11-3-4-12-13(6-11)20-9-19-12/h1-7H,8-9H2,(H2,16,17,18)

InChI Key

LKCPHXVUBWSZRD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.493

Distribution Coefficient, logD

1.492

Water Solubility, LogSw

-1.41

Polar Surface Area

60.497

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

Y205-1720 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 Y205-1720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-1720?
Check Price and Availability of Y205-1720, 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 Y205-1720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-1720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-1720
  • 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 Y205-1720 available by request