0336-0105 Screening compound: (2E)-N-[2-(adamantan-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide

0336-0105 Screening compound: (2E)-N-[2-(adamantan-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
0336-0105 Screening compound: (2E)-N-[2-(adamantan-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0336-0105
(2E)-N-[2-(adamantan-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide

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

0336-0105

Molecular Formula

C22H29NO2 (C22 H29 NO2)

Compound Name

(2E)-N-[2-(adamantan-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide

IUPAC name

(2E)-N-[2-(adamantan-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide

SMILES

COc1ccc(/C=C/C(NCCC2(CC(C3)C4)CC4CC3C2)=O)cc1

InChI

InChI=1S/C22H29NO2/c1-25-20-5-2-16(3-6-20)4-7-21(24)23-9-8-22-13-17-10-18(14-22)12-19(11-17)15-22/h2-7,17-19H,8-15H2,1H3,(H,23,24)

InChI Key

OBIXSTSCWHUDQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02634521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.262

Distribution Coefficient, logD

5.262

Water Solubility, LogSw

-5.24

Polar Surface Area

31.857

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

0336-0105 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 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 0336-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0336-0105?
Check Price and Availability of 0336-0105, 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 0336-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0336-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0336-0105
  • 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 0336-0105 available by request