F120-0589 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-N'-[2-(2-PHENETHYL-1H-1,3-BENZIMIDAZOL-1-YL)ETHYL]UREA

F120-0589 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-N'-[2-(2-PHENETHYL-1H-1,3-BENZIMIDAZOL-1-YL)ETHYL]UREA
F120-0589 Screening compound: N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-N'-[2-(2-PHENETHYL-1H-1,3-BENZIMIDAZOL-1-YL)ETHYL]UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound F120-0589
N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-N'-[2-(2-PHENETHYL-1H-1,3-BENZIMIDAZOL-1-YL)ETHYL]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

F120-0589

Molecular Formula

C26H26N4O3 (C26 H26 N4 O3)

Compound Name

N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-N'-[2-(2-PHENETHYL-1H-1,3-BENZIMIDAZOL-1-YL)ETHYL]UREA

IUPAC name

n/a

SMILES

O=C(NCCn1c(cccc2)c2nc1CCc1ccccc1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C26H26N4O3/c31-26(28-20-11-12-23-24(18-20)33-17-16-32-23)27-14-15-30-22-9-5-4-8-21(22)29-25(30)13-10-19-6-2-1-3-7-19/h1-9,11-12,18H,10,13-17H2,(H2,27,28,31)

InChI Key

GZOZUQTZJSKLAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27103084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.310

Distribution Coefficient, logD

4.302

Water Solubility, LogSw

-4.40

Polar Surface Area

60.411

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

F120-0589 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F120-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F120-0589?
Check Price and Availability of F120-0589, 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 F120-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F120-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F120-0589
  • 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 F120-0589 available by request