C214-1076 Screening compound: 2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide

C214-1076 Screening compound: 2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide
C214-1076 Screening compound: 2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C214-1076
2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}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

C214-1076

Molecular Formula

C26H32FN3O4 (C26 H32 FN3 O4)

Compound Name

2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide

IUPAC name

2-[(22-dimethyl-4-oxo-34-dihydro-2H-1-benzopyran-6-yl)oxy]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide

SMILES

CC(C)(C1)Oc(ccc(OCC(NCCCN(CC2)CCN2c(cc2)ccc2F)=O)c2)c2C1=O

InChI

InChI=1S/C26H32FN3O4/c1-26(2)17-23(31)22-16-21(8-9-24(22)34-26)33-18-25(32)28-10-3-11-29-12-14-30(15-13-29)20-6-4-19(27)5-7-20/h4-9,16H,3,10-15,17-18H2,1-2H3,(H,28,32)

InChI Key

IZLOHYVYWAJDDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14732465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.668

Distribution Coefficient, logD

2.082

Water Solubility, LogSw

-3.18

Polar Surface Area

58.603

Acid Dissociation Constant (pKa)

15.66

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C214-1076 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral HBV Library (10007 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C214-1076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C214-1076?
Check Price and Availability of C214-1076, 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 C214-1076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C214-1076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C214-1076
  • 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 C214-1076 available by request