4964-3118 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3-chlorophenyl)methyl]piperazine

4964-3118 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3-chlorophenyl)methyl]piperazine
4964-3118 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3-chlorophenyl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-3118
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3-chlorophenyl)methyl]piperazine

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

4964-3118

Molecular Formula

C19H21ClN2O2 (C19 H21 ClN2 O2)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3-chlorophenyl)methyl]piperazine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-[(3-chlorophenyl)methyl]piperazine

SMILES

Clc1cc(CN2CCN(Cc(cc3)cc4c3OCO4)CC2)ccc1

InChI

InChI=1S/C19H21ClN2O2/c20-17-3-1-2-15(10-17)12-21-6-8-22(9-7-21)13-16-4-5-18-19(11-16)24-14-23-18/h1-5,10-11H,6-9,12-14H2

InChI Key

GNUBCLMLGOVQQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00976006

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

344.84

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

3.470

Distribution Coefficient, logD

2.499

Water Solubility, LogSw

-3.49

Polar Surface Area

24.627

Acid Dissociation Constant (pKa)

28.48

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

4964-3118 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 4964-3118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-3118?
Check Price and Availability of 4964-3118, 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 4964-3118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-3118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-3118
  • 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 4964-3118 available by request