3758-0089F Screening compound: 4-(4-methoxyphenyl)-2-methyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

3758-0089F Screening compound: 4-(4-methoxyphenyl)-2-methyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
3758-0089F Screening compound: 4-(4-methoxyphenyl)-2-methyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3758-0089F
4-(4-methoxyphenyl)-2-methyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

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

3758-0089F

Molecular Formula

C17H17NO3 (C17 H17 NO3)

Compound Name

4-(4-methoxyphenyl)-2-methyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-(4-METHOXYPHENYL)-2-METHYL-4-AZATRICYCLO[5.2.1.0^(2,6)]DEC-8-ENE-3,5-DIONE

SMILES

CC(C1C=CC2C1)(C2C(N1c(cc2)ccc2OC)=O)C1=O

InChI

InChI=1S/C17H17NO3/c1-17-11-4-3-10(9-11)14(17)15(19)18(16(17)20)12-5-7-13(21-2)8-6-12/h3-8,10-11,14H,9H2,1-2H3

InChI Key

NHYBVZSHGHHMBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02207470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.077

Distribution Coefficient, logD

2.077

Water Solubility, LogSw

-2.88

Polar Surface Area

37.268

Acid Dissociation Constant (pKa)

17.35

Base Dissociation Constant (pKb)

-4.23

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with 3758-0089F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3758-0089F?
Check Price and Availability of 3758-0089F, 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 3758-0089F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3758-0089F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3758-0089F
  • 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 3758-0089F available by request