0KPI-0061 Screening compound: 4-(adamantane-1-amido)benzoic acid

0KPI-0061 Screening compound: 4-(adamantane-1-amido)benzoic acid
0KPI-0061 Screening compound: 4-(adamantane-1-amido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0KPI-0061
4-(adamantane-1-amido)benzoic acid

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-0061

Molecular Formula

C18H21NO3 (C18 H21 NO3)

Compound Name

4-(adamantane-1-amido)benzoic acid

IUPAC name

4-(adamantane-1-amido)benzoic acid

SMILES

OC(c(cc1)ccc1NC(C1(CC(C2)C3)CC3CC2C1)=O)=O

InChI

InChI=1S/C18H21NO3/c20-16(21)14-1-3-15(4-2-14)19-17(22)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,19,22)(H,20,21)

InChI Key

RXUAHMQUGGEWOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00194231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.555

Distribution Coefficient, logD

2.160

Water Solubility, LogSw

-4.47

Polar Surface Area

51.771

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

0KPI-0061 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases

References: we are preparing a list of scientific research reports with 0KPI-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0KPI-0061?
Check Price and Availability of 0KPI-0061, 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-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0KPI-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0KPI-0061
  • 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-0061 available by request