6408-0663 Screening compound: N-tert-butyl-2-(2-chloro-4-{[(3,5-dimethyladamantan-1-yl)amino]methyl}-6-methoxyphenoxy)acetamide

6408-0663 Screening compound: N-tert-butyl-2-(2-chloro-4-{[(3,5-dimethyladamantan-1-yl)amino]methyl}-6-methoxyphenoxy)acetamide
6408-0663 Screening compound: N-tert-butyl-2-(2-chloro-4-{[(3,5-dimethyladamantan-1-yl)amino]methyl}-6-methoxyphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6408-0663
N-tert-butyl-2-(2-chloro-4-{[(3,5-dimethyladamantan-1-yl)amino]methyl}-6-methoxyphenoxy)acetamide

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

6408-0663

Molecular Formula

C26H39ClN2O3 (C26 H39 ClN2 O3)

Compound Name

N-tert-butyl-2-(2-chloro-4-{[(3,5-dimethyladamantan-1-yl)amino]methyl}-6-methoxyphenoxy)acetamide

IUPAC name

N-tert-butyl-2-(2-chloro-4-{[(35-dimethyladamantan-1-yl)amino]methyl}-6-methoxyphenoxy)acetamide

SMILES

CC(C)(C)NC(COc(c(OC)cc(CNC1(CC(C2)C3)CC3(C)CC2(C)C1)c1)c1Cl)=O

InChI

InChI=1S/C26H39ClN2O3/c1-23(2,3)29-21(30)13-32-22-19(27)7-17(8-20(22)31-6)12-28-26-11-18-9-24(4,15-26)14-25(5,10-18)16-26/h7-8,18,28H,9-16H2,1-6H3,(H,29,30)

InChI Key

VDEMCWLXJPGNDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04090310

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

463.06

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.592

Distribution Coefficient, logD

3.001

Water Solubility, LogSw

-5.94

Polar Surface Area

50.089

Acid Dissociation Constant (pKa)

15.22

Base Dissociation Constant (pKb)

9.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.10

6408-0663 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6408-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6408-0663?
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What is the minimum amount of 6408-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6408-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6408-0663
  • 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 6408-0663 available by request