V026-9448 Screening compound: 1-benzyl-4-[3-(5-chloro-2-thienyl)-3-(3-isopropylphenoxy)propyl]piperazine

V026-9448 Screening compound: 1-benzyl-4-[3-(5-chloro-2-thienyl)-3-(3-isopropylphenoxy)propyl]piperazine
V026-9448 Screening compound: 1-benzyl-4-[3-(5-chloro-2-thienyl)-3-(3-isopropylphenoxy)propyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-9448
1-benzyl-4-[3-(5-chloro-2-thienyl)-3-(3-isopropylphenoxy)propyl]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

V026-9448

Molecular Formula

C27H33ClN2OS (C27 H33 ClN2 OS)

Compound Name

1-benzyl-4-[3-(5-chloro-2-thienyl)-3-(3-isopropylphenoxy)propyl]piperazine

IUPAC name

1-benzyl-4-[3-(5-chlorothiophen-2-yl)-3-[3-(propan-2-yl)phenoxy]propyl]piperazine

SMILES

CC(C)c1cccc(OC(CCN2CCN(Cc3ccccc3)CC2)c(s2)ccc2Cl)c1

InChI

InChI=1S/C27H33ClN2OS/c1-21(2)23-9-6-10-24(19-23)31-25(26-11-12-27(28)32-26)13-14-29-15-17-30(18-16-29)20-22-7-4-3-5-8-22/h3-12,19,21,25H,13-18,20H2,1-2H3/t25-/m0/s1

InChI Key

LAHWWURASAPDSC-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19928825

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

469.09

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.623

Distribution Coefficient, logD

6.358

Water Solubility, LogSw

-6.40

Polar Surface Area

14.909

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

7.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.74

V026-9448 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V026-9448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-9448?
Check Price and Availability of V026-9448, 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 V026-9448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-9448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-9448
  • 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 V026-9448 available by request