6016-3126 Screening compound: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)-1,2-dihydrophthalazin-1-one

6016-3126 Screening compound: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)-1,2-dihydrophthalazin-1-one
6016-3126 Screening compound: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)-1,2-dihydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6016-3126
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)-1,2-dihydrophthalazin-1-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

6016-3126

Molecular Formula

C27H25ClN4O2 (C27 H25 ClN4 O2)

Compound Name

2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)-1,2-dihydrophthalazin-1-one

IUPAC name

2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-(4-chlorophenyl)-12-dihydrophthalazin-1-one

SMILES

O=C(CN1N=C(c(cc2)ccc2Cl)c(cccc2)c2C1=O)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C27H25ClN4O2/c28-22-12-10-21(11-13-22)26-23-8-4-5-9-24(23)27(34)32(29-26)19-25(33)31-16-14-30(15-17-31)18-20-6-2-1-3-7-20/h1-13H,14-19H2

InChI Key

OYTFWTGHHTVDLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04005095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.415

Distribution Coefficient, logD

3.400

Water Solubility, LogSw

-4.11

Polar Surface Area

47.128

Acid Dissociation Constant (pKa)

18.42

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

6016-3126 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 6016-3126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6016-3126?
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What is the minimum amount of 6016-3126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6016-3126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6016-3126
  • 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 6016-3126 available by request