3333-4573 Screening compound: 1-[4-(adamantan-1-yl)phenoxy]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol

3333-4573 Screening compound: 1-[4-(adamantan-1-yl)phenoxy]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
3333-4573 Screening compound: 1-[4-(adamantan-1-yl)phenoxy]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3333-4573
1-[4-(adamantan-1-yl)phenoxy]-3-[4-(2-methoxyphenyl)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

3333-4573

Molecular Formula

C30H40N2O3 (C30 H40 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1N1CCN(CC(COc2ccc(C3(CC(C4)C5)CC5CC4C3)cc2)O)CC1

InChI

InChI=1S/C30H40N2O3/c1-34-29-5-3-2-4-28(29)32-12-10-31(11-13-32)20-26(33)21-35-27-8-6-25(7-9-27)30-17-22-14-23(18-30)16-24(15-22)19-30/h2-9,22-24,26,33H,10-21H2,1H3/t22?,23?,24?,26-,30?/m0/s1

InChI Key

UTHSXJAVECFZRC-RICCYLBVSA-N

MDL Number (MFCD)

MFCD02943254

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

476.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.294

Distribution Coefficient, logD

6.261

Water Solubility, LogSw

-5.86

Polar Surface Area

38.441

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

3333-4573 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3333-4573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3333-4573?
Check Price and Availability of 3333-4573, 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 3333-4573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3333-4573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3333-4573
  • 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 3333-4573 available by request