4550-5881 Screening compound: 1-(2-tert-butylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol

4550-5881 Screening compound: 1-(2-tert-butylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
4550-5881 Screening compound: 1-(2-tert-butylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4550-5881
1-(2-tert-butylphenoxy)-3-[4-(3-chlorophenyl)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

4550-5881

Molecular Formula

C23H31ClN2O2 (C23 H31 ClN2 O2)

Compound Name

1-(2-tert-butylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol

IUPAC name

1-(2-tert-butylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol

SMILES

CC(C)(C)c(cccc1)c1OCC(CN(CC1)CCN1c1cccc(Cl)c1)O

InChI

InChI=1S/C23H31ClN2O2/c1-23(2,3)21-9-4-5-10-22(21)28-17-20(27)16-25-11-13-26(14-12-25)19-8-6-7-18(24)15-19/h4-10,15,20,27H,11-14,16-17H2,1-3H3/t20-/m0/s1

InChI Key

DPRDNKDXRHRNMD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03826890

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

402.96

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

5.122

Distribution Coefficient, logD

5.064

Water Solubility, LogSw

-5.14

Polar Surface Area

31.437

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

4550-5881 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4550-5881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4550-5881?
Check Price and Availability of 4550-5881, 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 4550-5881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4550-5881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4550-5881
  • 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 4550-5881 available by request