4964-4599 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]ADAMANTAN-1-AMINE

4964-4599 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]ADAMANTAN-1-AMINE
4964-4599 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]ADAMANTAN-1-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-4599
N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]ADAMANTAN-1-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

4964-4599

Molecular Formula

C18H23NO2 (C18 H23 NO2)

Compound Name

N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]ADAMANTAN-1-AMINE

IUPAC name

n/a

SMILES

C(c(cc1)cc2c1OCO2)NC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C18H23NO2/c1-2-16-17(21-11-20-16)6-12(1)10-19-18-7-13-3-14(8-18)5-15(4-13)9-18/h1-2,6,13-15,19H,3-5,7-11H2

InChI Key

LYIPGBDYQYFMKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02043664

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

285.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.948

Distribution Coefficient, logD

0.987

Water Solubility, LogSw

-4.17

Polar Surface Area

28.606

Acid Dissociation Constant (pKa)

26.12

Base Dissociation Constant (pKb)

10.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

4964-4599 in Drug Discovery

Included in Screening Libraries

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

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 4964-4599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-4599?
Check Price and Availability of 4964-4599, 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 4964-4599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-4599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-4599
  • 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 4964-4599 available by request