Y207-3891 Screening compound: N-[1-(1,3-benzodioxol-5-yl)ethyl]-N'-(2,4-dimethoxyphenyl)urea

Y207-3891 Screening compound: N-[1-(1,3-benzodioxol-5-yl)ethyl]-N'-(2,4-dimethoxyphenyl)urea
Y207-3891 Screening compound: N-[1-(1,3-benzodioxol-5-yl)ethyl]-N'-(2,4-dimethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound Y207-3891
N-[1-(1,3-benzodioxol-5-yl)ethyl]-N'-(2,4-dimethoxyphenyl)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

Y207-3891

Molecular Formula

C18H20N2O5 (C18 H20 N2 O5)

Compound Name

N-[1-(1,3-benzodioxol-5-yl)ethyl]-N'-(2,4-dimethoxyphenyl)urea

IUPAC name

3-[1-(2H-13-benzodioxol-5-yl)ethyl]-1-(24-dimethoxyphenyl)urea

SMILES

CC(c(cc1)cc2c1OCO2)NC(Nc(ccc(OC)c1)c1OC)=O

InChI

InChI=1S/C18H20N2O5/c1-11(12-4-7-15-17(8-12)25-10-24-15)19-18(21)20-14-6-5-13(22-2)9-16(14)23-3/h4-9,11H,10H2,1-3H3,(H2,19,20,21)/t11-/m0/s1

InChI Key

CCLHRIOUDIIOCH-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.074

Distribution Coefficient, logD

3.074

Water Solubility, LogSw

-3.36

Polar Surface Area

64.619

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

Y207-3891 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y207-3891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y207-3891?
Check Price and Availability of Y207-3891, 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 Y207-3891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y207-3891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y207-3891
  • 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 Y207-3891 available by request