FF01-3491 Screening compound: 9-methyl-2-(4-methylpiperidino)-5,6,7,9-tetrahydropyrazolo[3,4-b]pyrimido[4,5-d]azepine

FF01-3491 Screening compound: 9-methyl-2-(4-methylpiperidino)-5,6,7,9-tetrahydropyrazolo[3,4-b]pyrimido[4,5-d]azepine
FF01-3491 Screening compound: 9-methyl-2-(4-methylpiperidino)-5,6,7,9-tetrahydropyrazolo[3,4-b]pyrimido[4,5-d]azepine alternative view

Chemical Structure Depiction of ChemDiv screening compound FF01-3491
9-methyl-2-(4-methylpiperidino)-5,6,7,9-tetrahydropyrazolo[3,4-b]pyrimido[4,5-d]azepine

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

FF01-3491

Molecular Formula

C16H22N6 (C16 H22 N6)

Compound Name

9-methyl-2-(4-methylpiperidino)-5,6,7,9-tetrahydropyrazolo[3,4-b]pyrimido[4,5-d]azepine

IUPAC name

4-methyl-13-(4-methylpiperidin-1-yl)-4571214-pentaazatricyclo[8.4.0.0^{26}]tetradeca-1(14)251012-pentaene

SMILES

CC(CC1)CCN1c1nc(-c2cn(C)nc2NCC2)c2cn1

InChI

InChI=1S/C16H22N6/c1-11-4-7-22(8-5-11)16-18-9-12-3-6-17-15-13(14(12)19-16)10-21(2)20-15/h9-11H,3-8H2,1-2H3,(H,17,20)

InChI Key

JZJLOYCAFZOREC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15732374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.063

Distribution Coefficient, logD

2.058

Water Solubility, LogSw

-2.52

Polar Surface Area

49.271

Acid Dissociation Constant (pKa)

19.04

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

FF01-3491 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 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 FF01-3491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound FF01-3491?
Check Price and Availability of FF01-3491, 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 FF01-3491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for FF01-3491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for FF01-3491
  • 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 FF01-3491 available by request