2306-0127 Screening compound: 3,4-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]aniline

2306-0127 Screening compound: 3,4-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
2306-0127 Screening compound: 3,4-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 2306-0127
3,4-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]aniline

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

2306-0127

Molecular Formula

C16H17Cl2NO3 (C16 H17 Cl2 NO3)

Compound Name

3,4-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]aniline

IUPAC name

34-dichloro-N-[(345-trimethoxyphenyl)methyl]aniline

SMILES

COc1cc(CNc(cc2)cc(Cl)c2Cl)cc(OC)c1OC

InChI

InChI=1S/C16H17Cl2NO3/c1-20-14-6-10(7-15(21-2)16(14)22-3)9-19-11-4-5-12(17)13(18)8-11/h4-8,19H,9H2,1-3H3

InChI Key

PSNNCVSYWPBLSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00769323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.428

Distribution Coefficient, logD

4.428

Water Solubility, LogSw

-4.42

Polar Surface Area

33.451

Acid Dissociation Constant (pKa)

18.30

Base Dissociation Constant (pKb)

8.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

2306-0127 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 2306-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2306-0127?
Check Price and Availability of 2306-0127, 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 2306-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2306-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2306-0127
  • 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 2306-0127 available by request