0111-0158 Screening compound: 3-(adamantan-1-yl)-1-cyclohexylurea

0111-0158 Screening compound: 3-(adamantan-1-yl)-1-cyclohexylurea
0111-0158 Screening compound: 3-(adamantan-1-yl)-1-cyclohexylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 0111-0158
3-(adamantan-1-yl)-1-cyclohexylurea

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

0111-0158

Molecular Formula

C17H28N2O (C17 H28 N2 O)

Compound Name

3-(adamantan-1-yl)-1-cyclohexylurea

IUPAC name

3-(adamantan-1-yl)-1-cyclohexylurea

SMILES

O=C(NC1CCCCC1)NC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C17H28N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H2,18,19,20)

InChI Key

VESXWSWSGQONHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00194717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.023

Distribution Coefficient, logD

4.023

Water Solubility, LogSw

-4.00

Polar Surface Area

34.607

Acid Dissociation Constant (pKa)

16.03

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

94.10

0111-0158 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

GABA Library (7115 compounds)

Human Phosphatases Annotated Library (206 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Pool
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0111-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0111-0158?
Check Price and Availability of 0111-0158, 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 0111-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0111-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0111-0158
  • 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 0111-0158 available by request