7780-0028 Screening compound: 2-(2-hydroxy-3-methoxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

7780-0028 Screening compound: 2-(2-hydroxy-3-methoxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
7780-0028 Screening compound: 2-(2-hydroxy-3-methoxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7780-0028
2-(2-hydroxy-3-methoxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

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

7780-0028

Molecular Formula

C22H24N2O3 (C22 H24 N2 O3)

Compound Name

2-(2-hydroxy-3-methoxyphenyl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

IUPAC name

2-(2-hydroxy-3-methoxyphenyl)-5-methyl-7-phenyl-13-diazatricyclo[3.3.1.1^{37}]decan-6-one

SMILES

CC(C1)(CN(C2)C(c(cccc3OC)c3O)N1CC21c2ccccc2)C1=O

InChI

InChI=1S/C22H26N2O3/c1-21-11-23-13-22(20(21)26,15-7-4-3-5-8-15)14-24(12-21)19(23)16-9-6-10-17(27-2)18(16)25/h3-10,19,23-25H,11-14H2,1-2H3

InChI Key

ROIMJDWKLILZEL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.082

Distribution Coefficient, logD

3.081

Water Solubility, LogSw

-3.12

Polar Surface Area

42.756

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 7780-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7780-0028?
Check Price and Availability of 7780-0028, 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 7780-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7780-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7780-0028
  • 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 7780-0028 available by request