Y205-1967 Screening compound: N-(1,3-benzodioxol-5-yl)-N'-(2-bromo-4-methylphenyl)urea

Y205-1967 Screening compound: N-(1,3-benzodioxol-5-yl)-N'-(2-bromo-4-methylphenyl)urea
Y205-1967 Screening compound: N-(1,3-benzodioxol-5-yl)-N'-(2-bromo-4-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-1967
N-(1,3-benzodioxol-5-yl)-N'-(2-bromo-4-methylphenyl)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

Y205-1967

Molecular Formula

C15H13BrN2O3 (C15 H13 BrN2 O3)

Compound Name

N-(1,3-benzodioxol-5-yl)-N'-(2-bromo-4-methylphenyl)urea

IUPAC name

3-(2H-13-benzodioxol-5-yl)-1-(2-bromo-4-methylphenyl)urea

SMILES

Cc(cc1)cc(Br)c1NC(Nc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C15H13BrN2O3/c1-9-2-4-12(11(16)6-9)18-15(19)17-10-3-5-13-14(7-10)21-8-20-13/h2-7H,8H2,1H3,(H2,17,18,19)

InChI Key

YMBCPIWQXFMNMB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.18

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.287

Distribution Coefficient, logD

4.287

Water Solubility, LogSw

-4.36

Polar Surface Area

48.959

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

Y205-1967 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 Y205-1967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-1967?
Check Price and Availability of Y205-1967, 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 Y205-1967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-1967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-1967
  • 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 Y205-1967 available by request