8016-9860 Screening compound: 2-(4-chloro-2-isopropyl-5-methylphenoxy)-1-ethanamine

8016-9860 Screening compound: 2-(4-chloro-2-isopropyl-5-methylphenoxy)-1-ethanamine
8016-9860 Screening compound: 2-(4-chloro-2-isopropyl-5-methylphenoxy)-1-ethanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9860
2-(4-chloro-2-isopropyl-5-methylphenoxy)-1-ethanamine

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

8016-9860

Molecular Formula

C12H18ClNO (C12 H18 ClNO)

Compound Name

2-(4-chloro-2-isopropyl-5-methylphenoxy)-1-ethanamine

IUPAC name

2-[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]ethan-1-amine

SMILES

CC(C)c1cc(Cl)c(C)cc1OCCN

InChI

InChI=1S/C12H18ClNO/c1-8(2)10-7-11(13)9(3)6-12(10)15-5-4-14/h6-8H,4-5,14H2,1-3H3

InChI Key

CFZGMLJESZUTFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860828

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

227.73

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.644

Distribution Coefficient, logD

1.319

Water Solubility, LogSw

-3.67

Polar Surface Area

28.898

Acid Dissociation Constant (pKa)

23.69

Base Dissociation Constant (pKb)

9.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8016-9860 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with 8016-9860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9860?
Check Price and Availability of 8016-9860, 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 8016-9860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9860
  • 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 8016-9860 available by request