C066-3384 Screening compound: N-(2-chloro-4-fluorophenyl)-12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide

C066-3384 Screening compound: N-(2-chloro-4-fluorophenyl)-12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide
C066-3384 Screening compound: N-(2-chloro-4-fluorophenyl)-12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-3384
N-(2-chloro-4-fluorophenyl)-12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide

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

C066-3384

Molecular Formula

C20H17ClFN3O2 (C20 H17 ClFN3 O2)

Compound Name

N-(2-chloro-4-fluorophenyl)-12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide

IUPAC name

N-(2-chloro-4-fluorophenyl)-12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazoline-3-carboxamide

SMILES

O=C(c(cc1)cc(N=C2N3CCCCC2)c1C3=O)Nc(ccc(F)c1)c1Cl

InChI

InChI=1S/C20H17ClFN3O2/c21-15-11-13(22)6-8-16(15)24-19(26)12-5-7-14-17(10-12)23-18-4-2-1-3-9-25(18)20(14)27/h5-8,10-11H,1-4,9H2,(H,24,26)

InChI Key

PRJILNKFIGRJID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07830699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.413

Distribution Coefficient, logD

3.038

Water Solubility, LogSw

-3.98

Polar Surface Area

49.113

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C066-3384 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-3384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3384?
Check Price and Availability of C066-3384, 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 C066-3384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3384
  • 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 C066-3384 available by request