E569-0161 Screening compound: 1-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-1-propylurea

E569-0161 Screening compound: 1-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-1-propylurea
E569-0161 Screening compound: 1-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-1-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound E569-0161
1-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-1-propylurea

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

E569-0161

Molecular Formula

C19H19Cl2N3O2 (C19 H19 Cl2 N3 O2)

Compound Name

1-(3,4-dichlorophenyl)-3-[(5-methyl-1,2-benzoxazol-3-yl)methyl]-1-propylurea

IUPAC name

1-(34-dichlorophenyl)-3-[(5-methyl-12-benzoxazol-3-yl)methyl]-1-propylurea

SMILES

CCCN(C(NCc1noc2c1cc(C)cc2)=O)c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C19H19Cl2N3O2/c1-3-8-24(13-5-6-15(20)16(21)10-13)19(25)22-11-17-14-9-12(2)4-7-18(14)26-23-17/h4-7,9-10H,3,8,11H2,1-2H3,(H,22,25)

InChI Key

GDUJGMNWCKVNGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14899254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.879

Distribution Coefficient, logD

5.879

Water Solubility, LogSw

-6.07

Polar Surface Area

48.677

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

E569-0161 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with E569-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E569-0161?
Check Price and Availability of E569-0161, 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 E569-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E569-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E569-0161
  • 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 E569-0161 available by request