C909-0105 Screening compound: N'-methyl-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}-N'-[3-(trifluoromethyl)phenyl]ethanediamide

C909-0105 Screening compound: N'-methyl-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}-N'-[3-(trifluoromethyl)phenyl]ethanediamide
C909-0105 Screening compound: N'-methyl-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}-N'-[3-(trifluoromethyl)phenyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0105
N'-methyl-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}-N'-[3-(trifluoromethyl)phenyl]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

C909-0105

Molecular Formula

C23H21F3N4O3 (C23 H21 F3 N4 O3)

Compound Name

N'-methyl-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}-N'-[3-(trifluoromethyl)phenyl]ethanediamide

IUPAC name

N'-methyl-N-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}-N'-[3-(trifluoromethyl)phenyl]ethanediamide

SMILES

CN(C(C(Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O)=O)=O)c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C23H21F3N4O3/c1-29(16-7-5-6-14(12-16)23(24,25)26)22(33)20(31)27-15-9-10-18-17(13-15)21(32)30-11-4-2-3-8-19(30)28-18/h5-7,9-10,12-13H,2-4,8,11H2,1H3,(H,27,31)

InChI Key

LIZHWQOWVPBLQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.215

Distribution Coefficient, logD

3.182

Water Solubility, LogSw

-3.72

Polar Surface Area

65.452

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C909-0105 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C909-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0105?
Check Price and Availability of C909-0105, 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 C909-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0105
  • 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 C909-0105 available by request