C865-0001 Screening compound: N'-(6-methylpyridin-2-yl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}propanediamide

C865-0001 Screening compound: N'-(6-methylpyridin-2-yl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}propanediamide
C865-0001 Screening compound: N'-(6-methylpyridin-2-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 C865-0001
N'-(6-methylpyridin-2-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

C865-0001

Molecular Formula

C22H23N5O3 (C22 H23 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(CC(Nc(cc2)cc3c2N=C(CCCCC2)N2C3=O)=O)=O)n1

InChI

InChI=1S/C22H23N5O3/c1-14-6-5-7-18(23-14)26-21(29)13-20(28)24-15-9-10-17-16(12-15)22(30)27-11-4-2-3-8-19(27)25-17/h5-7,9-10,12H,2-4,8,11,13H2,1H3,(H,24,28)(H,23,26,29)

InChI Key

XJWDIWNVUVJMGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.946

Distribution Coefficient, logD

1.946

Water Solubility, LogSw

-2.83

Polar Surface Area

81.736

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C865-0001 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C865-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C865-0001?
Check Price and Availability of C865-0001, 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 C865-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C865-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C865-0001
  • 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 C865-0001 available by request