C803-0331 Screening compound: 2-ethoxy-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}benzamide

C803-0331 Screening compound: 2-ethoxy-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}benzamide
C803-0331 Screening compound: 2-ethoxy-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C803-0331
2-ethoxy-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}benzamide

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

C803-0331

Molecular Formula

C22H23N3O3 (C22 H23 N3 O3)

Compound Name

2-ethoxy-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}benzamide

IUPAC name

2-ethoxy-N-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}benzamide

SMILES

CCOc(cccc1)c1C(Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O)=O

InChI

InChI=1S/C22H23N3O3/c1-2-28-19-9-6-5-8-16(19)21(26)23-15-11-12-18-17(14-15)22(27)25-13-7-3-4-10-20(25)24-18/h5-6,8-9,11-12,14H,2-4,7,10,13H2,1H3,(H,23,26)

InChI Key

QMAHTISWMMIVGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.220

Distribution Coefficient, logD

3.216

Water Solubility, LogSw

-3.68

Polar Surface Area

57.021

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C803-0331 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C803-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C803-0331?
Check Price and Availability of C803-0331, 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 C803-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C803-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C803-0331
  • 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 C803-0331 available by request