4554-3144 Screening compound: 1-[4-(adamantan-1-yl)phenoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

4554-3144 Screening compound: 1-[4-(adamantan-1-yl)phenoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
4554-3144 Screening compound: 1-[4-(adamantan-1-yl)phenoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4554-3144
1-[4-(adamantan-1-yl)phenoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

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

4554-3144

Molecular Formula

C29H37FN2O2 (C29 H37 FN2 O2)

Compound Name

1-[4-(adamantan-1-yl)phenoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

IUPAC name

1-[4-(adamantan-1-yl)phenoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

SMILES

OC(CN(CC1)CCN1c(cccc1)c1F)COc1ccc(C2(CC(C3)C4)CC4CC3C2)cc1

InChI

InChI=1S/C29H37FN2O2/c30-27-3-1-2-4-28(27)32-11-9-31(10-12-32)19-25(33)20-34-26-7-5-24(6-8-26)29-16-21-13-22(17-29)15-23(14-21)18-29/h1-8,21-23,25,33H,9-20H2/t21?,22?,23?,25-,29?/m0/s1

InChI Key

DMLMSZNLJAEACU-JIKPSSBFSA-N

MDL Number (MFCD)

MFCD03134488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.472

Distribution Coefficient, logD

6.448

Water Solubility, LogSw

-6.25

Polar Surface Area

30.811

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.60

4554-3144 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4554-3144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-3144?
Check Price and Availability of 4554-3144, 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 4554-3144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-3144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-3144
  • 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 4554-3144 available by request