0KPI-0025 Screening compound: 4-(adamantan-1-yl)-2-nitrophenol

0KPI-0025 Screening compound: 4-(adamantan-1-yl)-2-nitrophenol
0KPI-0025 Screening compound: 4-(adamantan-1-yl)-2-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0KPI-0025
4-(adamantan-1-yl)-2-nitrophenol

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-0025

Molecular Formula

C16H19NO3 (C16 H19 NO3)

Compound Name

4-(adamantan-1-yl)-2-nitrophenol

IUPAC name

4-(adamantan-1-yl)-2-nitrophenol

SMILES

[O-][N+](c(cc(C1(CC(C2)C3)CC3CC2C1)cc1)c1O)=O

InChI

InChI=1S/C16H19NO3/c18-15-2-1-13(6-14(15)17(19)20)16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12,18H,3-5,7-9H2

InChI Key

DPVIOSXCEWUDET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01321115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.145

Distribution Coefficient, logD

4.705

Water Solubility, LogSw

-5.35

Polar Surface Area

49.629

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

0KPI-0025 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0KPI-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0KPI-0025?
Check Price and Availability of 0KPI-0025, 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-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0KPI-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0KPI-0025
  • 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-0025 available by request