5212-0905 Screening compound: (4-methyl-3-cyclohexenyl)methyl N-phenylcarbamate

5212-0905 Screening compound: (4-methyl-3-cyclohexenyl)methyl N-phenylcarbamate
5212-0905 Screening compound: (4-methyl-3-cyclohexenyl)methyl N-phenylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5212-0905
(4-methyl-3-cyclohexenyl)methyl N-phenylcarbamate

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

5212-0905

Molecular Formula

C15H19NO2 (C15 H19 NO2)

Compound Name

(4-methyl-3-cyclohexenyl)methyl N-phenylcarbamate

IUPAC name

(4-methylcyclohex-3-en-1-yl)methyl N-phenylcarbamate

SMILES

CC1=CCC(COC(Nc2ccccc2)=O)CC1

InChI

InChI=1S/C15H19NO2/c1-12-7-9-13(10-8-12)11-18-15(17)16-14-5-3-2-4-6-14/h2-7,13H,8-11H2,1H3,(H,16,17)/t13-/m1/s1

InChI Key

HRTFFVMHRZLMMS-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD01117911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.32

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

4.423

Distribution Coefficient, logD

4.423

Water Solubility, LogSw

-4.51

Polar Surface Area

31.978

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

5212-0905 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5212-0905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5212-0905?
Check Price and Availability of 5212-0905, 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 5212-0905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5212-0905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5212-0905
  • 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 5212-0905 available by request