FF20-1444 Screening compound: 4-(4-methoxyphenyl)-1,4,5-triazatricyclo[5.2.2.0~2,6~]undeca-2,5-dien-3-amine

FF20-1444 Screening compound: 4-(4-methoxyphenyl)-1,4,5-triazatricyclo[5.2.2.0~2,6~]undeca-2,5-dien-3-amine
FF20-1444 Screening compound: 4-(4-methoxyphenyl)-1,4,5-triazatricyclo[5.2.2.0~2,6~]undeca-2,5-dien-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound FF20-1444
4-(4-methoxyphenyl)-1,4,5-triazatricyclo[5.2.2.0~2,6~]undeca-2,5-dien-3-amine

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

FF20-1444

Molecular Formula

C15H18N4O (C15 H18 N4 O)

Compound Name

4-(4-methoxyphenyl)-1,4,5-triazatricyclo[5.2.2.0~2,6~]undeca-2,5-dien-3-amine

IUPAC name

4-(4-methoxyphenyl)-145-triazatricyclo[5.2.2.0^{26}]undeca-25-dien-3-amine

SMILES

COc(cc1)ccc1-n1nc(C2CCN3CC2)c3c1N

InChI

InChI=1S/C15H18N4O/c1-20-12-4-2-11(3-5-12)19-15(16)14-13(17-19)10-6-8-18(14)9-7-10/h2-5,10H,6-9,16H2,1H3

InChI Key

QMXJGZZLUXXYKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25953482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.33

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.339

Distribution Coefficient, logD

2.339

Water Solubility, LogSw

-2.43

Polar Surface Area

45.618

Acid Dissociation Constant (pKa)

17.98

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

FF20-1444 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with FF20-1444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound FF20-1444?
Check Price and Availability of FF20-1444, 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 FF20-1444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for FF20-1444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for FF20-1444
  • 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 FF20-1444 available by request