4224-0019 Screening compound: {4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl}methyl N-(naphthalen-1-yl)carbamate

4224-0019 Screening compound: {4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl}methyl N-(naphthalen-1-yl)carbamate
4224-0019 Screening compound: {4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl}methyl N-(naphthalen-1-yl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4224-0019
{4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl}methyl N-(naphthalen-1-yl)carbamate

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

4224-0019

Molecular Formula

C22H25NO2 (C22 H25 NO2)

Compound Name

{4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl}methyl N-(naphthalen-1-yl)carbamate

IUPAC name

{477-trimethylbicyclo[4.1.0]hept-4-en-3-yl}methyl N-(naphthalen-1-yl)carbamate

SMILES

CC1(C)C2C=C(C)C(COC(Nc3cccc4ccccc34)=O)CC12

InChI

InChI=1S/C22H25NO2/c1-14-11-18-19(22(18,2)3)12-16(14)13-25-21(24)23-20-10-6-8-15-7-4-5-9-17(15)20/h4-11,16,18-19H,12-13H2,1-3H3,(H,23,24)

InChI Key

TUJFGPJAKKCPBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.854

Distribution Coefficient, logD

5.854

Water Solubility, LogSw

-6.80

Polar Surface Area

31.261

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.90

4224-0019 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4224-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4224-0019?
Check Price and Availability of 4224-0019, 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 4224-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4224-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4224-0019
  • 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 4224-0019 available by request