4092-0898 Screening compound: 1-(adamantan-2-yl)-4-{[2-(trifluoromethyl)phenyl]methyl}piperazine

4092-0898 Screening compound: 1-(adamantan-2-yl)-4-{[2-(trifluoromethyl)phenyl]methyl}piperazine
4092-0898 Screening compound: 1-(adamantan-2-yl)-4-{[2-(trifluoromethyl)phenyl]methyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-0898
1-(adamantan-2-yl)-4-{[2-(trifluoromethyl)phenyl]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

4092-0898

Molecular Formula

C22H29F3N2 (C22 H29 F3 N2)

Compound Name

1-(adamantan-2-yl)-4-{[2-(trifluoromethyl)phenyl]methyl}piperazine

IUPAC name

1-(adamantan-2-yl)-4-{[2-(trifluoromethyl)phenyl]methyl}piperazine

SMILES

FC(c1c(CN(CC2)CCN2C2C3CC(C4)CC2CC4C3)cccc1)(F)F

InChI

InChI=1S/C22H29F3N2/c23-22(24,25)20-4-2-1-3-17(20)14-26-5-7-27(8-6-26)21-18-10-15-9-16(12-18)13-19(21)11-15/h1-4,15-16,18-19,21H,5-14H2

InChI Key

AHNGZRXQNOSBIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02374845

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

378.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.183

Distribution Coefficient, logD

4.791

Water Solubility, LogSw

-5.57

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

72.70

4092-0898 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4092-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-0898?
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What is the minimum amount of 4092-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-0898
  • 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 4092-0898 available by request