5554-0031 Screening compound: 1-cyclohexyl-3-(2-methylphenyl)-1-[2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]urea

5554-0031 Screening compound: 1-cyclohexyl-3-(2-methylphenyl)-1-[2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]urea
5554-0031 Screening compound: 1-cyclohexyl-3-(2-methylphenyl)-1-[2-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5554-0031
1-cyclohexyl-3-(2-methylphenyl)-1-[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

5554-0031

Molecular Formula

C26H40N2O2 (C26 H40 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C(CC1)C2)C1(C)C2OCCN(C1CCCCC1)C(Nc1c(C)cccc1)=O

InChI

InChI=1S/C26H40N2O2/c1-19-10-8-9-13-22(19)27-24(29)28(21-11-6-5-7-12-21)16-17-30-23-18-20-14-15-26(23,4)25(20,2)3/h8-10,13,20-21,23H,5-7,11-12,14-18H2,1-4H3,(H,27,29)

InChI Key

VUGPATWMNVUEQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03678358

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

6.801

Distribution Coefficient, logD

6.801

Water Solubility, LogSw

-5.50

Polar Surface Area

31.243

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

73.10

5554-0031 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Lipid Metabolism Library (9174 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5554-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5554-0031?
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What is the minimum amount of 5554-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5554-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5554-0031
  • 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 5554-0031 available by request