5228-3864 Screening compound: 1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.0~2,6~]deca-2(6),4-diene-5-carboxylate

5228-3864 Screening compound: 1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.0~2,6~]deca-2(6),4-diene-5-carboxylate
5228-3864 Screening compound: 1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.0~2,6~]deca-2(6),4-diene-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5228-3864
1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.0~2,6~]deca-2(6),4-diene-5-carboxylate

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

5228-3864

Molecular Formula

C18H19N2O2 (C18 H19 N2 O2)

Compound Name

1,10,10-trimethyl-3-phenyl-3,4-diazatricyclo[5.2.1.0~2,6~]deca-2(6),4-diene-5-carboxylate

IUPAC name

n/a

SMILES

CC(C)(C1CC2)C2(C)c2c1c(C([O-])=O)nn2-c1ccccc1

InChI

InChI=1S/C18H20N2O2/c1-17(2)12-9-10-18(17,3)15-13(12)14(16(21)22)19-20(15)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,21,22)/p-1

InChI Key

TWKWHPUPCOCRHI-UHFFFAOYSA-M

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

K+

Molecular Weight

295.36

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

3.229

Distribution Coefficient, logD

3.229

Water Solubility, LogSw

-3.05

Polar Surface Area

43.472

Acid Dissociation Constant (pKa)

15.56

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

9.00

5228-3864 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 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 5228-3864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5228-3864?
Check Price and Availability of 5228-3864, 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 5228-3864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5228-3864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5228-3864
  • 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 5228-3864 available by request