C909-0221 Screening compound: N-ethyl-N-(2-ethylphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide

C909-0221 Screening compound: N-ethyl-N-(2-ethylphenyl)-N-(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)ethanediamide
C909-0221 Screening compound: N-ethyl-N-(2-ethylphenyl)-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 C909-0221
N-ethyl-N-(2-ethylphenyl)-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

C909-0221

Molecular Formula

C25H28N4O3 (C25 H28 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1)c1N(CC)C(C(Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O)=O)=O

InChI

InChI=1S/C25H28N4O3/c1-3-17-10-7-8-11-21(17)28(4-2)25(32)23(30)26-18-13-14-20-19(16-18)24(31)29-15-9-5-6-12-22(29)27-20/h7-8,10-11,13-14,16H,3-6,9,12,15H2,1-2H3,(H,26,30)

InChI Key

ZZLOTFATRAWNNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.833

Distribution Coefficient, logD

3.827

Water Solubility, LogSw

-3.85

Polar Surface Area

65.129

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C909-0221 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 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 C909-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0221?
Check Price and Availability of C909-0221, 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 C909-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0221
  • 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 C909-0221 available by request