3466-0023 Screening compound: 1-(3-methylphenyl)-4-(4-propoxybenzenecarbothioyl)piperazine

3466-0023 Screening compound: 1-(3-methylphenyl)-4-(4-propoxybenzenecarbothioyl)piperazine
3466-0023 Screening compound: 1-(3-methylphenyl)-4-(4-propoxybenzenecarbothioyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3466-0023
1-(3-methylphenyl)-4-(4-propoxybenzenecarbothioyl)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

3466-0023

Molecular Formula

C21H26N2OS (C21 H26 N2 OS)

Compound Name

1-(3-methylphenyl)-4-(4-propoxybenzenecarbothioyl)piperazine

IUPAC name

1-(3-methylphenyl)-4-(4-propoxybenzenecarbothioyl)piperazine

SMILES

CCCOc(cc1)ccc1C(N(CC1)CCN1c1cc(C)ccc1)=S

InChI

InChI=1S/C21H26N2OS/c1-3-15-24-20-9-7-18(8-10-20)21(25)23-13-11-22(12-14-23)19-6-4-5-17(2)16-19/h4-10,16H,3,11-15H2,1-2H3

InChI Key

BDBTYFOEHVYTHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.423

Distribution Coefficient, logD

5.423

Water Solubility, LogSw

-5.48

Polar Surface Area

12.865

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 3466-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3466-0023?
Check Price and Availability of 3466-0023, 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 3466-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3466-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3466-0023
  • 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 3466-0023 available by request