8009-7574 Screening compound: 1-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine

8009-7574 Screening compound: 1-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine
8009-7574 Screening compound: 1-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7574
1-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)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

8009-7574

Molecular Formula

C19H22N2OS (C19 H22 N2 OS)

Compound Name

1-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine

IUPAC name

1-phenyl-4-(4567-tetrahydro-1-benzothiophene-2-carbonyl)piperazine

SMILES

O=C(c1cc(CCCC2)c2s1)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C19H22N2OS/c22-19(18-14-15-6-4-5-9-17(15)23-18)21-12-10-20(11-13-21)16-7-2-1-3-8-16/h1-3,7-8,14H,4-6,9-13H2

InChI Key

QIHTUOSQGZOUIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.088

Distribution Coefficient, logD

4.088

Water Solubility, LogSw

-4.22

Polar Surface Area

21.086

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

8009-7574 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8009-7574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7574?
Check Price and Availability of 8009-7574, 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 8009-7574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7574
  • 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 8009-7574 available by request