C803-0313 Screening compound: 2-(3,4-dichlorophenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}acetamide

C803-0313 Screening compound: 2-(3,4-dichlorophenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}acetamide
C803-0313 Screening compound: 2-(3,4-dichlorophenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C803-0313
2-(3,4-dichlorophenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}acetamide

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

C803-0313

Molecular Formula

C21H19Cl2N3O2 (C21 H19 Cl2 N3 O2)

Compound Name

2-(3,4-dichlorophenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}acetamide

IUPAC name

2-(34-dichlorophenyl)-N-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}acetamide

SMILES

O=C(Cc(cc1)cc(Cl)c1Cl)Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O

InChI

InChI=1S/C21H19Cl2N3O2/c22-16-7-5-13(10-17(16)23)11-20(27)24-14-6-8-18-15(12-14)21(28)26-9-3-1-2-4-19(26)25-18/h5-8,10,12H,1-4,9,11H2,(H,24,27)

InChI Key

RHBIJLPBMYNMAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.193

Distribution Coefficient, logD

4.193

Water Solubility, LogSw

-4.51

Polar Surface Area

49.598

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C803-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C803-0313?
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What is the minimum amount of C803-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C803-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C803-0313
  • 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 C803-0313 available by request