C909-0072 Screening compound: 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}acetamide

C909-0072 Screening compound: 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}acetamide
C909-0072 Screening compound: 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C909-0072
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}acetamide

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

C909-0072

Molecular Formula

C25H26FN5O3 (C25 H26 FN5 O3)

Compound Name

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

IUPAC name

2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}acetamide

SMILES

O=C(C(N(CC1)CCN1c(cc1)ccc1F)=O)Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O

InChI

InChI=1S/C25H26FN5O3/c26-17-5-8-19(9-6-17)29-12-14-30(15-13-29)25(34)23(32)27-18-7-10-21-20(16-18)24(33)31-11-3-1-2-4-22(31)28-21/h5-10,16H,1-4,11-15H2,(H,27,32)

InChI Key

RXYYKIUGTNFEGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.556

Distribution Coefficient, logD

2.005

Water Solubility, LogSw

-3.21

Polar Surface Area

69.991

Acid Dissociation Constant (pKa)

6.99

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C909-0072 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C909-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C909-0072?
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What is the minimum amount of C909-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C909-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C909-0072
  • 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 C909-0072 available by request