4048-0266 Screening compound: 1-(3-chloro-4-methylphenyl)-4-{6-[4-(2-methylbutan-2-yl)phenoxy]hexyl}piperazine

4048-0266 Screening compound: 1-(3-chloro-4-methylphenyl)-4-{6-[4-(2-methylbutan-2-yl)phenoxy]hexyl}piperazine
4048-0266 Screening compound: 1-(3-chloro-4-methylphenyl)-4-{6-[4-(2-methylbutan-2-yl)phenoxy]hexyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4048-0266
1-(3-chloro-4-methylphenyl)-4-{6-[4-(2-methylbutan-2-yl)phenoxy]hexyl}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

4048-0266

Molecular Formula

C28H41ClN2O (C28 H41 ClN2 O)

Compound Name

1-(3-chloro-4-methylphenyl)-4-{6-[4-(2-methylbutan-2-yl)phenoxy]hexyl}piperazine

IUPAC name

1-(3-chloro-4-methylphenyl)-4-{6-[4-(2-methylbutan-2-yl)phenoxy]hexyl}piperazine

SMILES

CCC(C)(C)c(cc1)ccc1OCCCCCCN(CC1)CCN1c1cc(Cl)c(C)cc1

InChI

InChI=1S/C28H41ClN2O/c1-5-28(3,4)24-11-14-26(15-12-24)32-21-9-7-6-8-16-30-17-19-31(20-18-30)25-13-10-23(2)27(29)22-25/h10-15,22H,5-9,16-21H2,1-4H3

InChI Key

LRQIJOWDNRNLDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00866734

Chemical and Physical Properties

Saltdata

CH3SO3H

Molecular Weight

457.1

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.212

Distribution Coefficient, logD

7.847

Water Solubility, LogSw

-6.72

Polar Surface Area

14.627

Acid Dissociation Constant (pKa)

27.59

Base Dissociation Constant (pKb)

7.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

References: we are preparing a list of scientific research reports with 4048-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4048-0266?
Check Price and Availability of 4048-0266, 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 4048-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4048-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4048-0266
  • 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 4048-0266 available by request