5868-0650 Screening compound: N-({3-bromo-5-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)adamantan-2-amine

5868-0650 Screening compound: N-({3-bromo-5-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)adamantan-2-amine
5868-0650 Screening compound: N-({3-bromo-5-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)adamantan-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5868-0650
N-({3-bromo-5-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)adamantan-2-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

5868-0650

Molecular Formula

C23H28BrNO2S (C23 H28 BrNO2 S)

Compound Name

N-({3-bromo-5-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)adamantan-2-amine

IUPAC name

N-({3-bromo-5-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)adamantan-2-amine

SMILES

COc1cc(CNC2C3CC(C4)CC2CC4C3)cc(Br)c1OCc1cccs1

InChI

InChI=1S/C23H28BrNO2S/c1-26-21-11-16(10-20(24)23(21)27-13-19-3-2-4-28-19)12-25-22-17-6-14-5-15(8-17)9-18(22)7-14/h2-4,10-11,14-15,17-18,22,25H,5-9,12-13H2,1H3

InChI Key

LIQNGGKJLZHHIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03784686

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

462.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.894

Distribution Coefficient, logD

2.933

Water Solubility, LogSw

-5.65

Polar Surface Area

28.191

Acid Dissociation Constant (pKa)

25.53

Base Dissociation Constant (pKb)

10.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

5868-0650 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5868-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5868-0650?
Check Price and Availability of 5868-0650, 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 5868-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5868-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5868-0650
  • 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 5868-0650 available by request