6408-0646 Screening compound: N-tert-butyl-2-(4-{[(3,5-dimethyladamantan-1-yl)amino]methyl}-2-methoxyphenoxy)acetamide

6408-0646 Screening compound: N-tert-butyl-2-(4-{[(3,5-dimethyladamantan-1-yl)amino]methyl}-2-methoxyphenoxy)acetamide
6408-0646 Screening compound: N-tert-butyl-2-(4-{[(3,5-dimethyladamantan-1-yl)amino]methyl}-2-methoxyphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6408-0646
N-tert-butyl-2-(4-{[(3,5-dimethyladamantan-1-yl)amino]methyl}-2-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

6408-0646

Molecular Formula

C26H40N2O3 (C26 H40 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)NC(COc(ccc(CNC1(CC(C2)C3)CC3(C)CC2(C)C1)c1)c1OC)=O

InChI

InChI=1S/C26H40N2O3/c1-23(2,3)28-22(29)14-31-20-8-7-18(9-21(20)30-6)13-27-26-12-19-10-24(4,16-26)15-25(5,11-19)17-26/h7-9,19,27H,10-17H2,1-6H3,(H,28,29)

InChI Key

HDAVVFIZHJVTTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04090301

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

428.62

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

4.579

Distribution Coefficient, logD

1.619

Water Solubility, LogSw

-4.60

Polar Surface Area

50.002

Acid Dissociation Constant (pKa)

15.22

Base Dissociation Constant (pKb)

10.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.10

6408-0646 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 6408-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6408-0646?
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What is the minimum amount of 6408-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6408-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6408-0646
  • 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 6408-0646 available by request