8016-2692 Screening compound: N~1~-[2-(2-isopropyl-5-methylphenoxy)ethyl]-2-phenethylbenzamide

8016-2692 Screening compound: N~1~-[2-(2-isopropyl-5-methylphenoxy)ethyl]-2-phenethylbenzamide
8016-2692 Screening compound: N~1~-[2-(2-isopropyl-5-methylphenoxy)ethyl]-2-phenethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2692
N~1~-[2-(2-isopropyl-5-methylphenoxy)ethyl]-2-phenethylbenzamide

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

8016-2692

Molecular Formula

C27H31NO2 (C27 H31 NO2)

Compound Name

N~1~-[2-(2-isopropyl-5-methylphenoxy)ethyl]-2-phenethylbenzamide

IUPAC name

N-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-2-(2-phenylethyl)benzamide

SMILES

CC(C)c(ccc(C)c1)c1OCCNC(c1c(CCc2ccccc2)cccc1)=O

InChI

InChI=1S/C27H31NO2/c1-20(2)24-16-13-21(3)19-26(24)30-18-17-28-27(29)25-12-8-7-11-23(25)15-14-22-9-5-4-6-10-22/h4-13,16,19-20H,14-15,17-18H2,1-3H3,(H,28,29)

InChI Key

FWHNZHJHYCPTGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.504

Distribution Coefficient, logD

7.504

Water Solubility, LogSw

-5.70

Polar Surface Area

31.726

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.63

8016-2692 in Drug Discovery

Included in Screening Libraries

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 8016-2692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2692?
Check Price and Availability of 8016-2692, 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 8016-2692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2692
  • 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 8016-2692 available by request