1030-0089 Screening compound: 1-[3-(3,4-dimethylphenyl)adamantan-1-yl]methanamine

1030-0089 Screening compound: 1-[3-(3,4-dimethylphenyl)adamantan-1-yl]methanamine
1030-0089 Screening compound: 1-[3-(3,4-dimethylphenyl)adamantan-1-yl]methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1030-0089
1-[3-(3,4-dimethylphenyl)adamantan-1-yl]methanamine

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

1030-0089

Molecular Formula

C19H27N (C19 H27 N)

Compound Name

1-[3-(3,4-dimethylphenyl)adamantan-1-yl]methanamine

IUPAC name

1-[3-(34-dimethylphenyl)adamantan-1-yl]methanamine

SMILES

Cc1c(C)cc(C2(CC(C3)C4)CC4(CN)CC3C2)cc1

InChI

InChI=1S/C19H27N/c1-13-3-4-17(5-14(13)2)19-9-15-6-16(10-19)8-18(7-15,11-19)12-20/h3-5,15-16H,6-12,20H2,1-2H3

InChI Key

HDLFKUFFYZVAIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01821206

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

269.43

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.660

Distribution Coefficient, logD

2.940

Water Solubility, LogSw

-4.57

Polar Surface Area

21.661

Acid Dissociation Constant (pKa)

23.55

Base Dissociation Constant (pKb)

9.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

1030-0089 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 1030-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1030-0089?
Check Price and Availability of 1030-0089, 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 1030-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1030-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1030-0089
  • 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 1030-0089 available by request