C803-0329 Screening compound: 4-ethoxy-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}benzamide

C803-0329 Screening compound: 4-ethoxy-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}benzamide
C803-0329 Screening compound: 4-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 C803-0329
4-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

C803-0329

Molecular Formula

C22H23N3O3 (C22 H23 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1C(Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O)=O

InChI

InChI=1S/C22H23N3O3/c1-2-28-17-10-7-15(8-11-17)21(26)23-16-9-12-19-18(14-16)22(27)25-13-5-3-4-6-20(25)24-19/h7-12,14H,2-6,13H2,1H3,(H,23,26)

InChI Key

NMYLZGOCGRCLJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800091

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

3.310

Distribution Coefficient, logD

3.310

Water Solubility, LogSw

-3.62

Polar Surface Area

56.935

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C803-0329 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C803-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C803-0329?
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What is the minimum amount of C803-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C803-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C803-0329
  • 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 C803-0329 available by request