C865-0011 Screening compound: N'-(3-chloro-4-fluorophenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}propanediamide

C865-0011 Screening compound: N'-(3-chloro-4-fluorophenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}propanediamide
C865-0011 Screening compound: N'-(3-chloro-4-fluorophenyl)-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 C865-0011
N'-(3-chloro-4-fluorophenyl)-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

C865-0011

Molecular Formula

C22H20ClFN4O3 (C22 H20 ClFN4 O3)

Compound Name

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

IUPAC name

N'-(3-chloro-4-fluorophenyl)-N-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}propanediamide

SMILES

O=C(CC(Nc(cc1)cc(Cl)c1F)=O)Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O

InChI

InChI=1S/C22H20ClFN4O3/c23-16-11-14(5-7-17(16)24)26-21(30)12-20(29)25-13-6-8-18-15(10-13)22(31)28-9-3-1-2-4-19(28)27-18/h5-8,10-11H,1-4,9,12H2,(H,25,29)(H,26,30)

InChI Key

HHPSALOKNOYXEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.985

Distribution Coefficient, logD

2.976

Water Solubility, LogSw

-3.74

Polar Surface Area

72.747

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C865-0011 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C865-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C865-0011?
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What is the minimum amount of C865-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C865-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C865-0011
  • 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 C865-0011 available by request