FF01-4549 Screening compound: 1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-3-ol

FF01-4549 Screening compound: 1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-3-ol
FF01-4549 Screening compound: 1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound FF01-4549
1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-3-ol

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

FF01-4549

Molecular Formula

C11H12N2O (C11 H12 N2 O)

Compound Name

1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-3-ol

IUPAC name

1H2H3H9H-pyrrolo[21-b]quinazolin-3-ol

SMILES

OC(CCN1C2)C1=Nc1c2cccc1

InChI

InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2/t10-/m0/s1

InChI Key

YIICVSCAKJMMDJ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01544498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

188.23

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.050

Distribution Coefficient, logD

-1.893

Water Solubility, LogSw

-1.23

Polar Surface Area

28.248

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

10.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

FF01-4549 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Antiviral Annotated Library (21441 compounds)

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

CNS MPO Library (28609 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with FF01-4549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound FF01-4549?
Check Price and Availability of FF01-4549, 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 FF01-4549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for FF01-4549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for FF01-4549
  • 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 FF01-4549 available by request