6408-0048 Screening compound: [1-(adamantan-1-yl)ethyl]({2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)amine

6408-0048 Screening compound: [1-(adamantan-1-yl)ethyl]({2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)amine
6408-0048 Screening compound: [1-(adamantan-1-yl)ethyl]({2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6408-0048
[1-(adamantan-1-yl)ethyl]({2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)amine

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

6408-0048

Molecular Formula

C27H34FNO2 (C27 H34 FNO2)

Compound Name

[1-(adamantan-1-yl)ethyl]({2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)amine

IUPAC name

[1-(adamantan-1-yl)ethyl]({2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)amine

SMILES

CC(C1(CC(C2)C3)CC3CC2C1)NCc1cccc(OC)c1OCc(cccc1)c1F

InChI

InChI=1S/C27H34FNO2/c1-18(27-13-19-10-20(14-27)12-21(11-19)15-27)29-16-22-7-5-9-25(30-2)26(22)31-17-23-6-3-4-8-24(23)28/h3-9,18-21,29H,10-17H2,1-2H3/t18-,19?,20?,21?,27?/m0/s1

InChI Key

VPVLMVSHBDBJAZ-MBBDBFLNSA-N

MDL Number (MFCD)

MFCD04327893

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

423.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.014

Distribution Coefficient, logD

3.213

Water Solubility, LogSw

-5.90

Polar Surface Area

26.023

Acid Dissociation Constant (pKa)

25.83

Base Dissociation Constant (pKb)

10.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

6408-0048 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with 6408-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6408-0048?
Check Price and Availability of 6408-0048, 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 6408-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6408-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6408-0048
  • 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 6408-0048 available by request