C066-3374 Screening compound: N-(4-fluorophenyl)-12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide

C066-3374 Screening compound: N-(4-fluorophenyl)-12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide
C066-3374 Screening compound: N-(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 C066-3374
N-(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

C066-3374

Molecular Formula

C20H18FN3O2 (C20 H18 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(N=C2N3CCCCC2)c1C3=O)Nc(cc1)ccc1F

InChI

InChI=1S/C20H18FN3O2/c21-14-6-8-15(9-7-14)22-19(25)13-5-10-16-17(12-13)23-18-4-2-1-3-11-24(18)20(16)26/h5-10,12H,1-4,11H2,(H,22,25)

InChI Key

BHZAELAMSYEDCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07261555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.38

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

2.811

Distribution Coefficient, logD

2.803

Water Solubility, LogSw

-3.63

Polar Surface Area

49.811

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C066-3374 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 C066-3374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3374?
Check Price and Availability of C066-3374, 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 C066-3374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3374
  • 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 C066-3374 available by request