C865-0020 Screening compound: N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}propanediamide

C865-0020 Screening compound: N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}propanediamide
C865-0020 Screening compound: N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}propanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C865-0020
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}propanediamide

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

C865-0020

Molecular Formula

C24H24N4O5 (C24 H24 N4 O5)

Compound Name

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

IUPAC name

N'-(23-dihydro-14-benzodioxin-6-yl)-N-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}propanediamide

SMILES

O=C(CC(Nc(cc1)cc2c1OCCO2)=O)Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O

InChI

InChI=1S/C24H24N4O5/c29-22(14-23(30)26-16-6-8-19-20(13-16)33-11-10-32-19)25-15-5-7-18-17(12-15)24(31)28-9-3-1-2-4-21(28)27-18/h5-8,12-13H,1-4,9-11,14H2,(H,25,29)(H,26,30)

InChI Key

LNWONARRJSTZPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.227

Distribution Coefficient, logD

1.227

Water Solubility, LogSw

-2.30

Polar Surface Area

88.570

Acid Dissociation Constant (pKa)

10.58

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C865-0020 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C865-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C865-0020?
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What is the minimum amount of C865-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C865-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C865-0020
  • 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 C865-0020 available by request