8004-3799 Screening compound: 1-(4-bromophenyl)-3-[2-(2-fluorophenoxy)ethyl]urea

8004-3799 Screening compound: 1-(4-bromophenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
8004-3799 Screening compound: 1-(4-bromophenyl)-3-[2-(2-fluorophenoxy)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-3799
1-(4-bromophenyl)-3-[2-(2-fluorophenoxy)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

8004-3799

Molecular Formula

C15H14BrFN2O2 (C15 H14 BrFN2 O2)

Compound Name

1-(4-bromophenyl)-3-[2-(2-fluorophenoxy)ethyl]urea

IUPAC name

1-(4-bromophenyl)-3-[2-(2-fluorophenoxy)ethyl]urea

SMILES

O=C(NCCOc(cccc1)c1F)Nc(cc1)ccc1Br

InChI

InChI=1S/C15H14BrFN2O2/c16-11-5-7-12(8-6-11)19-15(20)18-9-10-21-14-4-2-1-3-13(14)17/h1-8H,9-10H2,(H2,18,19,20)

InChI Key

XNUPBGQMWJUFMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00412401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.370

Distribution Coefficient, logD

4.370

Water Solubility, LogSw

-4.51

Polar Surface Area

41.209

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8004-3799 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8004-3799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-3799?
Check Price and Availability of 8004-3799, 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 8004-3799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-3799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-3799
  • 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 8004-3799 available by request