C849-0371 Screening compound: 3-[4-(2-FLUOROPHENYL)PIPERAZINE-1-CARBONYL]-6H,7H,8H,9H,10H,12H-AZEPINO[2,1-B]QUINAZOLIN-12-ONE

C849-0371 Screening compound: 3-[4-(2-FLUOROPHENYL)PIPERAZINE-1-CARBONYL]-6H,7H,8H,9H,10H,12H-AZEPINO[2,1-B]QUINAZOLIN-12-ONE
C849-0371 Screening compound: 3-[4-(2-FLUOROPHENYL)PIPERAZINE-1-CARBONYL]-6H,7H,8H,9H,10H,12H-AZEPINO[2,1-B]QUINAZOLIN-12-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C849-0371
3-[4-(2-FLUOROPHENYL)PIPERAZINE-1-CARBONYL]-6H,7H,8H,9H,10H,12H-AZEPINO[2,1-B]QUINAZOLIN-12-ONE

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

C849-0371

Molecular Formula

C24H25FN4O2 (C24 H25 FN4 O2)

Compound Name

3-[4-(2-FLUOROPHENYL)PIPERAZINE-1-CARBONYL]-6H,7H,8H,9H,10H,12H-AZEPINO[2,1-B]QUINAZOLIN-12-ONE

IUPAC name

n/a

SMILES

O=C(c(cc1)cc(N=C2N3CCCCC2)c1C3=O)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C24H25FN4O2/c25-19-6-3-4-7-21(19)27-12-14-28(15-13-27)23(30)17-9-10-18-20(16-17)26-22-8-2-1-5-11-29(22)24(18)31/h3-4,6-7,9-10,16H,1-2,5,8,11-15H2

InChI Key

FUTWKDUPPGUPTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.593

Distribution Coefficient, logD

2.593

Water Solubility, LogSw

-3.28

Polar Surface Area

46.327

Acid Dissociation Constant (pKa)

20.79

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C849-0371 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C849-0371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C849-0371?
Check Price and Availability of C849-0371, 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 C849-0371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C849-0371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C849-0371
  • 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 C849-0371 available by request