C865-0016 Screening compound: N'-(5-chloro-2-methoxyphenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}propanediamide

C865-0016 Screening compound: N'-(5-chloro-2-methoxyphenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}propanediamide
C865-0016 Screening compound: N'-(5-chloro-2-methoxyphenyl)-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 C865-0016
N'-(5-chloro-2-methoxyphenyl)-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

C865-0016

Molecular Formula

C23H23ClN4O4 (C23 H23 ClN4 O4)

Compound Name

N'-(5-chloro-2-methoxyphenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}propanediamide

IUPAC name

N'-(5-chloro-2-methoxyphenyl)-N-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}propanediamide

SMILES

COc(ccc(Cl)c1)c1NC(CC(Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O)=O)=O

InChI

InChI=1S/C23H23ClN4O4/c1-32-19-9-6-14(24)11-18(19)27-22(30)13-21(29)25-15-7-8-17-16(12-15)23(31)28-10-4-2-3-5-20(28)26-17/h6-9,11-12H,2-5,10,13H2,1H3,(H,25,29)(H,27,30)

InChI Key

UXXBHPHNWSJWCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.508

Distribution Coefficient, logD

2.504

Water Solubility, LogSw

-3.51

Polar Surface Area

79.680

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C865-0016 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C865-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C865-0016?
Check Price and Availability of C865-0016, 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 C865-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C865-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C865-0016
  • 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 C865-0016 available by request