8018-5518 Screening compound: 3-(adamantan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide

8018-5518 Screening compound: 3-(adamantan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
8018-5518 Screening compound: 3-(adamantan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5518
3-(adamantan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide

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

8018-5518

Molecular Formula

C28H32N2O2 (C28 H32 N2 O2)

Compound Name

3-(adamantan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide

IUPAC name

3-(adamantan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide

SMILES

COc(cc1)c(C2(CC(C3)C4)CC4CC3C2)cc1C(NCCc1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C28H32N2O2/c1-32-26-7-6-21(13-24(26)28-14-18-10-19(15-28)12-20(11-18)16-28)27(31)29-9-8-22-17-30-25-5-3-2-4-23(22)25/h2-7,13,17-20,30H,8-12,14-16H2,1H3,(H,29,31)

InChI Key

WBBQWOQVHLJPNB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.074

Distribution Coefficient, logD

6.074

Water Solubility, LogSw

-5.86

Polar Surface Area

41.756

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

8018-5518 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

Lipid Metabolism Library (9174 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Eye
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-5518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5518?
Check Price and Availability of 8018-5518, 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 8018-5518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5518
  • 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 8018-5518 available by request