C909-0019 Screening compound: N-(2-fluorophenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide

C909-0019 Screening compound: N-(2-fluorophenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
C909-0019 Screening compound: N-(2-fluorophenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0019
N-(2-fluorophenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide

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

C909-0019

Molecular Formula

C21H19FN4O3 (C21 H19 FN4 O3)

Compound Name

N-(2-fluorophenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide

IUPAC name

N'-(2-fluorophenyl)-N-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}ethanediamide

SMILES

O=C(C(Nc(cccc1)c1F)=O)Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O

InChI

InChI=1S/C21H19FN4O3/c22-15-6-3-4-7-17(15)25-20(28)19(27)23-13-9-10-16-14(12-13)21(29)26-11-5-1-2-8-18(26)24-16/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H,23,27)(H,25,28)

InChI Key

HBZMHUYNBNEETA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.333

Distribution Coefficient, logD

2.144

Water Solubility, LogSw

-3.21

Polar Surface Area

72.476

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

C909-0019 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C909-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0019?
Check Price and Availability of C909-0019, 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 C909-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0019
  • 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 C909-0019 available by request