0KPI-0088 Screening compound: 3-chloro-N-methyladamantane-1-carboxamide

0KPI-0088 Screening compound: 3-chloro-N-methyladamantane-1-carboxamide
0KPI-0088 Screening compound: 3-chloro-N-methyladamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0KPI-0088
3-chloro-N-methyladamantane-1-carboxamide

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-0088

Molecular Formula

C12H18ClNO (C12 H18 ClNO)

Compound Name

3-chloro-N-methyladamantane-1-carboxamide

IUPAC name

3-chloro-N-methyladamantane-1-carboxamide

SMILES

CNC(C(CC(C1)C2)(CC1C1)CC12Cl)=O

InChI

InChI=1S/C12H18ClNO/c1-14-10(15)11-3-8-2-9(4-11)6-12(13,5-8)7-11/h8-9H,2-7H2,1H3,(H,14,15)

InChI Key

RUDPKFRFXHFGEX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

227.73

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.760

Distribution Coefficient, logD

2.760

Water Solubility, LogSw

-3.23

Polar Surface Area

25.107

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

91.70

0KPI-0088 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Antiviral Annotated Library (21441 compounds)

Frequent Hitters Library (7624 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Pool
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-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0KPI-0088?
Check Price and Availability of 0KPI-0088, 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-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0KPI-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0KPI-0088
  • 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-0088 available by request