2796-0246 Screening compound: 1,7-diethyl-4-(2-fluorophenyl)-8,9-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

2796-0246 Screening compound: 1,7-diethyl-4-(2-fluorophenyl)-8,9-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione
2796-0246 Screening compound: 1,7-diethyl-4-(2-fluorophenyl)-8,9-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2796-0246
1,7-diethyl-4-(2-fluorophenyl)-8,9-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

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

2796-0246

Molecular Formula

C31H26FNO3 (C31 H26 FNO3)

Compound Name

1,7-diethyl-4-(2-fluorophenyl)-8,9-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

IUPAC name

17-diethyl-4-(2-fluorophenyl)-89-diphenyl-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-3510-trione

SMILES

CCC(C(C(C12CC)C(N3c(cccc4)c4F)=O)C3=O)(C2=O)C(c2ccccc2)=C1c1ccccc1

InChI

InChI=1S/C31H26FNO3/c1-3-30-23(19-13-7-5-8-14-19)24(20-15-9-6-10-16-20)31(4-2,29(30)36)26-25(30)27(34)33(28(26)35)22-18-12-11-17-21(22)32/h5-18,25-26H,3-4H2,1-2H3

InChI Key

DVHOLFIMQUBUPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01188346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.550

Distribution Coefficient, logD

5.550

Water Solubility, LogSw

-5.50

Polar Surface Area

42.027

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-10.14

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

25.80

2796-0246 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2796-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2796-0246?
Check Price and Availability of 2796-0246, 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 2796-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2796-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2796-0246
  • 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 2796-0246 available by request