4491-1600 Screening compound: 4-[(2-chlorophenyl)methoxy]aniline

4491-1600 Screening compound: 4-[(2-chlorophenyl)methoxy]aniline
4491-1600 Screening compound: 4-[(2-chlorophenyl)methoxy]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-1600
4-[(2-chlorophenyl)methoxy]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

4491-1600

Molecular Formula

C13H12ClNO (C13 H12 ClNO)

Compound Name

4-[(2-chlorophenyl)methoxy]aniline

IUPAC name

4-[(2-chlorophenyl)methoxy]aniline

SMILES

Nc(cc1)ccc1OCc(cccc1)c1Cl

InChI

InChI=1S/C13H12ClNO/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12/h1-8H,9,15H2

InChI Key

JBTSPGBABBKQJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02089383

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

233.7

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.986

Distribution Coefficient, logD

2.984

Water Solubility, LogSw

-3.00

Polar Surface Area

28.272

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

4491-1600 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4491-1600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-1600?
Check Price and Availability of 4491-1600, 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 4491-1600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-1600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-1600
  • 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 4491-1600 available by request