3333-4571 Screening compound: 1-[4-(adamantan-1-yl)phenoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol

3333-4571 Screening compound: 1-[4-(adamantan-1-yl)phenoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
3333-4571 Screening compound: 1-[4-(adamantan-1-yl)phenoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3333-4571
1-[4-(adamantan-1-yl)phenoxy]-3-[4-(4-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

3333-4571

Molecular Formula

C29H37FN2O2 (C29 H37 FN2 O2)

Compound Name

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

IUPAC name

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

SMILES

OC(CN(CC1)CCN1c(cc1)ccc1F)COc1ccc(C2(CC(C3)C4)CC4CC3C2)cc1

InChI

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

InChI Key

MYVTZKUEJQZPIL-ATVSQVCMSA-N

MDL Number (MFCD)

MFCD03826528

Chemical and Physical Properties

Saltdata

2HCl

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

6.444

Distribution Coefficient, logD

6.386

Water Solubility, LogSw

-6.24

Polar Surface Area

31.112

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.60

3333-4571 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 3333-4571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3333-4571?
Check Price and Availability of 3333-4571, 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 3333-4571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3333-4571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3333-4571
  • 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 3333-4571 available by request