0KPI-0096 Screening compound: 1-(adamantan-1-yl)-3-(2-hydroxyethyl)urea

0KPI-0096 Screening compound: 1-(adamantan-1-yl)-3-(2-hydroxyethyl)urea
0KPI-0096 Screening compound: 1-(adamantan-1-yl)-3-(2-hydroxyethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 0KPI-0096
1-(adamantan-1-yl)-3-(2-hydroxyethyl)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

0KPI-0096

Molecular Formula

C13H22N2O2 (C13 H22 N2 O2)

Compound Name

1-(adamantan-1-yl)-3-(2-hydroxyethyl)urea

IUPAC name

1-(adamantan-1-yl)-3-(2-hydroxyethyl)urea

SMILES

OCCNC(NC1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C13H22N2O2/c16-2-1-14-12(17)15-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11,16H,1-8H2,(H2,14,15,17)

InChI Key

BBHYFNMMUBVBEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01790199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.657

Distribution Coefficient, logD

1.657

Water Solubility, LogSw

-1.99

Polar Surface Area

51.650

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

92.30

0KPI-0096 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Frequent Hitters Library (7624 compounds)

Human Phosphatases Annotated Library (206 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0KPI-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0KPI-0096?
Check Price and Availability of 0KPI-0096, 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 0KPI-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0KPI-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0KPI-0096
  • 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 0KPI-0096 available by request