7616-0509 Screening compound: 3-[4-(3-chloro-4-fluorophenyl)piperazino]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one

7616-0509 Screening compound: 3-[4-(3-chloro-4-fluorophenyl)piperazino]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one
7616-0509 Screening compound: 3-[4-(3-chloro-4-fluorophenyl)piperazino]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7616-0509
3-[4-(3-chloro-4-fluorophenyl)piperazino]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-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

7616-0509

Molecular Formula

C18H19ClFN2O3P (C18 H19 ClFN2 O3 P)

Compound Name

3-[4-(3-chloro-4-fluorophenyl)piperazino]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one

IUPAC name

3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-34-dihydro-2H-153lambda5-benzodioxaphosphepin-3-one

SMILES

O=P1(COc(cccc2)c2OC1)N(CC1)CCN1c(cc1)cc(Cl)c1F

InChI

InChI=1S/C18H19ClFN2O3P/c19-15-11-14(5-6-16(15)20)21-7-9-22(10-8-21)26(23)12-24-17-3-1-2-4-18(17)25-13-26/h1-6,11H,7-10,12-13H2

InChI Key

ZDNXSKACJZMVFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.183

Distribution Coefficient, logD

3.183

Water Solubility, LogSw

-3.47

Polar Surface Area

40.402

Acid Dissociation Constant (pKa)

28.25

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 7616-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7616-0509?
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What is the minimum amount of 7616-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7616-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7616-0509
  • 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 7616-0509 available by request