V001-3497 Screening compound: 2-{[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one

V001-3497 Screening compound: 2-{[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
V001-3497 Screening compound: 2-{[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-3497
2-{[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-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

V001-3497

Molecular Formula

C26H26ClFN2O4 (C26 H26 ClFN2 O4)

Compound Name

2-{[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one

IUPAC name

2-{[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]methyl}-5-[(35-dimethylphenyl)methoxy]-4H-pyran-4-one

SMILES

Cc1cc(COC2=COC(CN(CC3)CCN3C(c(cc(cc3)F)c3Cl)=O)=CC2=O)cc(C)c1

InChI

InChI=1S/C26H26ClFN2O4/c1-17-9-18(2)11-19(10-17)15-34-25-16-33-21(13-24(25)31)14-29-5-7-30(8-6-29)26(32)22-12-20(28)3-4-23(22)27/h3-4,9-13,16H,5-8,14-15H2,1-2H3

InChI Key

DIWRJQSXYVCXQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945795

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

484.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.588

Distribution Coefficient, logD

4.587

Water Solubility, LogSw

-4.73

Polar Surface Area

50.339

Acid Dissociation Constant (pKa)

27.91

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V001-3497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-3497?
Check Price and Availability of V001-3497, 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 V001-3497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-3497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-3497
  • 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 V001-3497 available by request