3381-1289 Screening compound: N-[(2,4-dimethoxy-3-methylphenyl)methyl]adamantan-2-amine

3381-1289 Screening compound: N-[(2,4-dimethoxy-3-methylphenyl)methyl]adamantan-2-amine
3381-1289 Screening compound: N-[(2,4-dimethoxy-3-methylphenyl)methyl]adamantan-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-1289
N-[(2,4-dimethoxy-3-methylphenyl)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

3381-1289

Molecular Formula

C20H29NO2 (C20 H29 NO2)

Compound Name

N-[(2,4-dimethoxy-3-methylphenyl)methyl]adamantan-2-amine

IUPAC name

N-[(24-dimethoxy-3-methylphenyl)methyl]adamantan-2-amine

SMILES

Cc(c(OC)c(CNC1C2CC(C3)CC1CC3C2)cc1)c1OC

InChI

InChI=1S/C20H29NO2/c1-12-18(22-2)5-4-15(20(12)23-3)11-21-19-16-7-13-6-14(9-16)10-17(19)8-13/h4-5,13-14,16-17,19,21H,6-11H2,1-3H3

InChI Key

KCHCZTYTSDJGRQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

315.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.667

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-4.52

Polar Surface Area

27.489

Acid Dissociation Constant (pKa)

25.53

Base Dissociation Constant (pKb)

9.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

3381-1289 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3381-1289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-1289?
Check Price and Availability of 3381-1289, 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 3381-1289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-1289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-1289
  • 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 3381-1289 available by request