8017-0837 Screening compound: [3-(benzyloxy)phenyl][4-(4-methoxyphenyl)piperazino]methanethione

8017-0837 Screening compound: [3-(benzyloxy)phenyl][4-(4-methoxyphenyl)piperazino]methanethione
8017-0837 Screening compound: [3-(benzyloxy)phenyl][4-(4-methoxyphenyl)piperazino]methanethione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0837
[3-(benzyloxy)phenyl][4-(4-methoxyphenyl)piperazino]methanethione

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

8017-0837

Molecular Formula

C25H26N2O2S (C25 H26 N2 O2 S)

Compound Name

[3-(benzyloxy)phenyl][4-(4-methoxyphenyl)piperazino]methanethione

IUPAC name

1-[3-(benzyloxy)benzenecarbothioyl]-4-(4-methoxyphenyl)piperazine

SMILES

COc(cc1)ccc1N(CC1)CCN1C(c1cc(OCc2ccccc2)ccc1)=S

InChI

InChI=1S/C25H26N2O2S/c1-28-23-12-10-22(11-13-23)26-14-16-27(17-15-26)25(30)21-8-5-9-24(18-21)29-19-20-6-3-2-4-7-20/h2-13,18H,14-17,19H2,1H3

InChI Key

TWPMBYQTUQUUCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.633

Distribution Coefficient, logD

5.633

Water Solubility, LogSw

-5.66

Polar Surface Area

20.218

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

8017-0837 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8017-0837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-0837?
Check Price and Availability of 8017-0837, 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 8017-0837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0837
  • 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 8017-0837 available by request