4092-0801 Screening compound: 1-(adamantan-2-yl)-4-[(2-chlorophenyl)methyl]piperazine

4092-0801 Screening compound: 1-(adamantan-2-yl)-4-[(2-chlorophenyl)methyl]piperazine
4092-0801 Screening compound: 1-(adamantan-2-yl)-4-[(2-chlorophenyl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-0801
1-(adamantan-2-yl)-4-[(2-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

4092-0801

Molecular Formula

C21H29ClN2 (C21 H29 ClN2)

Compound Name

1-(adamantan-2-yl)-4-[(2-chlorophenyl)methyl]piperazine

IUPAC name

1-(adamantan-2-yl)-4-[(2-chlorophenyl)methyl]piperazine

SMILES

Clc1c(CN(CC2)CCN2C2C3CC(C4)CC2CC4C3)cccc1

InChI

InChI=1S/C21H29ClN2/c22-20-4-2-1-3-17(20)14-23-5-7-24(8-6-23)21-18-10-15-9-16(12-18)13-19(21)11-15/h1-4,15-16,18-19,21H,5-14H2

InChI Key

NLPCUMAYTDJPMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02209452

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

344.93

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.886

Distribution Coefficient, logD

4.494

Water Solubility, LogSw

-5.06

Polar Surface Area

5.836

Acid Dissociation Constant (pKa)

25.81

Base Dissociation Constant (pKb)

7.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

4092-0801 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 4092-0801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-0801?
Check Price and Availability of 4092-0801, 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 4092-0801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-0801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-0801
  • 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 4092-0801 available by request