3702-1176 Screening compound: [(2,6-difluorophenyl)methyl][(3,4-dimethoxyphenyl)methyl]amine

3702-1176 Screening compound: [(2,6-difluorophenyl)methyl][(3,4-dimethoxyphenyl)methyl]amine
3702-1176 Screening compound: [(2,6-difluorophenyl)methyl][(3,4-dimethoxyphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3702-1176
[(2,6-difluorophenyl)methyl][(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

3702-1176

Molecular Formula

C16H17F2NO2 (C16 H17 F2 NO2)

Compound Name

[(2,6-difluorophenyl)methyl][(3,4-dimethoxyphenyl)methyl]amine

IUPAC name

[(26-difluorophenyl)methyl][(34-dimethoxyphenyl)methyl]amine

SMILES

COc(ccc(CNCc(c(F)ccc1)c1F)c1)c1OC

InChI

InChI=1S/C16H17F2NO2/c1-20-15-7-6-11(8-16(15)21-2)9-19-10-12-13(17)4-3-5-14(12)18/h3-8,19H,9-10H2,1-2H3

InChI Key

UMSVSXRMGHBRFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01135139

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

293.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.665

Distribution Coefficient, logD

0.921

Water Solubility, LogSw

-2.80

Polar Surface Area

27.265

Acid Dissociation Constant (pKa)

26.21

Base Dissociation Constant (pKb)

9.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3702-1176 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3702-1176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3702-1176?
Check Price and Availability of 3702-1176, 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 3702-1176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3702-1176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3702-1176
  • 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 3702-1176 available by request