F120-0584 Screening compound: 3-{2-[2-(2-phenylethyl)-1H-1,3-benzodiazol-1-yl]ethyl}-1-[3-(trifluoromethyl)phenyl]urea

F120-0584 Screening compound: 3-{2-[2-(2-phenylethyl)-1H-1,3-benzodiazol-1-yl]ethyl}-1-[3-(trifluoromethyl)phenyl]urea
F120-0584 Screening compound: 3-{2-[2-(2-phenylethyl)-1H-1,3-benzodiazol-1-yl]ethyl}-1-[3-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F120-0584
3-{2-[2-(2-phenylethyl)-1H-1,3-benzodiazol-1-yl]ethyl}-1-[3-(trifluoromethyl)phenyl]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

F120-0584

Molecular Formula

C25H23F3N4O (C25 H23 F3 N4 O)

Compound Name

3-{2-[2-(2-phenylethyl)-1H-1,3-benzodiazol-1-yl]ethyl}-1-[3-(trifluoromethyl)phenyl]urea

IUPAC name

3-{2-[2-(2-phenylethyl)-1H-13-benzodiazol-1-yl]ethyl}-1-[3-(trifluoromethyl)phenyl]urea

SMILES

O=C(NCCn1c(cccc2)c2nc1CCc1ccccc1)Nc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C25H23F3N4O/c26-25(27,28)19-9-6-10-20(17-19)30-24(33)29-15-16-32-22-12-5-4-11-21(22)31-23(32)14-13-18-7-2-1-3-8-18/h1-12,17H,13-16H2,(H2,29,30,33)

InChI Key

USQFSLMNQKIIEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.381

Distribution Coefficient, logD

6.373

Water Solubility, LogSw

-6.21

Polar Surface Area

44.588

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F120-0584 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F120-0584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F120-0584?
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What is the minimum amount of F120-0584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F120-0584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F120-0584
  • 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 F120-0584 available by request