5554-0030 Screening compound: 3-cyclohexyl-1-(4-methylphenyl)-3-[2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]urea

5554-0030 Screening compound: 3-cyclohexyl-1-(4-methylphenyl)-3-[2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]urea
5554-0030 Screening compound: 3-cyclohexyl-1-(4-methylphenyl)-3-[2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5554-0030
3-cyclohexyl-1-(4-methylphenyl)-3-[2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)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

5554-0030

Molecular Formula

C26H40N2O2 (C26 H40 N2 O2)

Compound Name

3-cyclohexyl-1-(4-methylphenyl)-3-[2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]urea

IUPAC name

3-cyclohexyl-1-(4-methylphenyl)-3-[2-({177-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]urea

SMILES

CC(C)(C(CC1)C2)C1(C)C2OCCN(C1CCCCC1)C(Nc1ccc(C)cc1)=O

InChI

InChI=1S/C26H40N2O2/c1-19-10-12-21(13-11-19)27-24(29)28(22-8-6-5-7-9-22)16-17-30-23-18-20-14-15-26(23,4)25(20,2)3/h10-13,20,22-23H,5-9,14-18H2,1-4H3,(H,27,29)

InChI Key

OPEXHECXYNEPKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01959940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.033

Distribution Coefficient, logD

7.033

Water Solubility, LogSw

-5.51

Polar Surface Area

31.941

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

73.10

5554-0030 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

GPCR Targeted Library (31838 compounds)

Lipid Metabolism Library (9174 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Eye
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • 3D
Targets:
  • GPCR
  • Ion Channels
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5554-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5554-0030?
Check Price and Availability of 5554-0030, 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 5554-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5554-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5554-0030
  • 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 5554-0030 available by request