1748-0444 Screening compound: butyl[(3,4-dimethoxyphenyl)methyl]amine

1748-0444 Screening compound: butyl[(3,4-dimethoxyphenyl)methyl]amine
1748-0444 Screening compound: butyl[(3,4-dimethoxyphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1748-0444
butyl[(3,4-dimethoxyphenyl)methyl]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

1748-0444

Molecular Formula

C13H21NO2 (C13 H21 NO2)

Compound Name

butyl[(3,4-dimethoxyphenyl)methyl]amine

IUPAC name

butyl[(34-dimethoxyphenyl)methyl]amine

SMILES

CCCCNCc(cc1)cc(OC)c1OC

InChI

InChI=1S/C13H21NO2/c1-4-5-8-14-10-11-6-7-12(15-2)13(9-11)16-3/h6-7,9,14H,4-5,8,10H2,1-3H3

InChI Key

DDWWSCZOAULJTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01543446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

223.32

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

2.125

Distribution Coefficient, logD

-1.519

Water Solubility, LogSw

-2.47

Polar Surface Area

27.378

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

11.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

1748-0444 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1748-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1748-0444?
Check Price and Availability of 1748-0444, 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 1748-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1748-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1748-0444
  • 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 1748-0444 available by request