2617-0056 Screening compound: 1-{4-[4-(2,4-dichlorobenzoyl)piperazino]-5-fluoro-2-methylphenyl}-1-ethanone

2617-0056 Screening compound: 1-{4-[4-(2,4-dichlorobenzoyl)piperazino]-5-fluoro-2-methylphenyl}-1-ethanone
2617-0056 Screening compound: 1-{4-[4-(2,4-dichlorobenzoyl)piperazino]-5-fluoro-2-methylphenyl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 2617-0056
1-{4-[4-(2,4-dichlorobenzoyl)piperazino]-5-fluoro-2-methylphenyl}-1-ethanone

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

2617-0056

Molecular Formula

C20H19Cl2FN2O2 (C20 H19 Cl2 FN2 O2)

Compound Name

1-{4-[4-(2,4-dichlorobenzoyl)piperazino]-5-fluoro-2-methylphenyl}-1-ethanone

IUPAC name

1-{4-[4-(24-dichlorobenzoyl)piperazin-1-yl]-5-fluoro-2-methylphenyl}ethan-1-one

SMILES

CC(c(c(C)c1)cc(F)c1N(CC1)CCN1C(c(ccc(Cl)c1)c1Cl)=O)=O

InChI

InChI=1S/C20H19Cl2FN2O2/c1-12-9-19(18(23)11-16(12)13(2)26)24-5-7-25(8-6-24)20(27)15-4-3-14(21)10-17(15)22/h3-4,9-11H,5-8H2,1-2H3

InChI Key

BLDAITKOGFHQCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01828713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.005

Distribution Coefficient, logD

4.005

Water Solubility, LogSw

-4.47

Polar Surface Area

33.673

Acid Dissociation Constant (pKa)

21.45

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

2617-0056 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2617-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2617-0056?
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What is the minimum amount of 2617-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2617-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2617-0056
  • 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 2617-0056 available by request