Y031-1832 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3,3-diethylurea

Y031-1832 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3,3-diethylurea
Y031-1832 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3,3-diethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1832
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3,3-diethylurea

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

Y031-1832

Molecular Formula

C13H18N2O3 (C13 H18 N2 O3)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-3,3-diethylurea

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-33-diethylurea

SMILES

CCN(CC)C(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C13H18N2O3/c1-3-15(4-2)13(16)14-8-10-5-6-11-12(7-10)18-9-17-11/h5-7H,3-4,8-9H2,1-2H3,(H,14,16)

InChI Key

UVGGDHCNJQCCGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06635261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.814

Distribution Coefficient, logD

1.814

Water Solubility, LogSw

-2.30

Polar Surface Area

43.429

Acid Dissociation Constant (pKa)

16.02

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

Y031-1832 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-1832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1832?
Check Price and Availability of Y031-1832, 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 Y031-1832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1832
  • 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 Y031-1832 available by request