8004-5615 Screening compound: 3-[4-(decyloxy)phenyl]-1-(4-phenylbutyl)urea

8004-5615 Screening compound: 3-[4-(decyloxy)phenyl]-1-(4-phenylbutyl)urea
8004-5615 Screening compound: 3-[4-(decyloxy)phenyl]-1-(4-phenylbutyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-5615
3-[4-(decyloxy)phenyl]-1-(4-phenylbutyl)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

8004-5615

Molecular Formula

C27H40N2O2 (C27 H40 N2 O2)

Compound Name

3-[4-(decyloxy)phenyl]-1-(4-phenylbutyl)urea

IUPAC name

3-[4-(decyloxy)phenyl]-1-(4-phenylbutyl)urea

SMILES

CCCCCCCCCCOc(cc1)ccc1NC(NCCCCc1ccccc1)=O

InChI

InChI=1S/C27H40N2O2/c1-2-3-4-5-6-7-8-14-23-31-26-20-18-25(19-21-26)29-27(30)28-22-13-12-17-24-15-10-9-11-16-24/h9-11,15-16,18-21H,2-8,12-14,17,22-23H2,1H3,(H2,28,29,30)

InChI Key

IQEXHOXXVJYQGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.677

Distribution Coefficient, logD

8.677

Water Solubility, LogSw

-5.69

Polar Surface Area

41.123

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.90

8004-5615 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8004-5615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-5615?
Check Price and Availability of 8004-5615, 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 8004-5615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-5615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-5615
  • 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 8004-5615 available by request