8016-3576 Screening compound: 1-[3-(3-fluorophenyl)-1,4,5-triazatricyclo[5.2.2.0~2,6~]undec-5-en-4-yl]-1-ethanone

8016-3576 Screening compound: 1-[3-(3-fluorophenyl)-1,4,5-triazatricyclo[5.2.2.0~2,6~]undec-5-en-4-yl]-1-ethanone
8016-3576 Screening compound: 1-[3-(3-fluorophenyl)-1,4,5-triazatricyclo[5.2.2.0~2,6~]undec-5-en-4-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3576
1-[3-(3-fluorophenyl)-1,4,5-triazatricyclo[5.2.2.0~2,6~]undec-5-en-4-yl]-1-ethanone

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

8016-3576

Molecular Formula

C16H18FN3O (C16 H18 FN3 O)

Compound Name

1-[3-(3-fluorophenyl)-1,4,5-triazatricyclo[5.2.2.0~2,6~]undec-5-en-4-yl]-1-ethanone

IUPAC name

n/a

SMILES

CC(N1N=C2C(CC3)CCN3C2C1c1cccc(F)c1)=O

InChI

InChI=1S/C16H18FN3O/c1-10(21)20-15(12-3-2-4-13(17)9-12)16-14(18-20)11-5-7-19(16)8-6-11/h2-4,9,11,15-16H,5-8H2,1H3

InChI Key

AMKPEJUFTYNKOF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.288

Distribution Coefficient, logD

2.288

Water Solubility, LogSw

-2.56

Polar Surface Area

29.542

Acid Dissociation Constant (pKa)

18.95

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8016-3576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3576?
Check Price and Availability of 8016-3576, 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 8016-3576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3576
  • 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 8016-3576 available by request