7287-0670 Screening compound: N-{3-[(3,4-dimethoxyphenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}acetamide

7287-0670 Screening compound: N-{3-[(3,4-dimethoxyphenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}acetamide
7287-0670 Screening compound: N-{3-[(3,4-dimethoxyphenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7287-0670
N-{3-[(3,4-dimethoxyphenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}acetamide

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

7287-0670

Molecular Formula

C25H35N3O4S (C25 H35 N3 O4 S)

Compound Name

N-{3-[(3,4-dimethoxyphenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}acetamide

IUPAC name

N-{3-[(34-dimethoxyphenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4567-tetrahydro-1-benzothiophen-2-yl}acetamide

SMILES

CC(Nc1c(C(c(cc2)cc(OC)c2OC)N2CCN(CCO)CC2)c(CCCC2)c2s1)=O

InChI

InChI=1S/C25H35N3O4S/c1-17(30)26-25-23(19-6-4-5-7-22(19)33-25)24(28-12-10-27(11-13-28)14-15-29)18-8-9-20(31-2)21(16-18)32-3/h8-9,16,24,29H,4-7,10-15H2,1-3H3,(H,26,30)/t24-/m1/s1

InChI Key

DXHCFHXEKBBRJR-XMMPIXPASA-N

MDL Number (MFCD)

MFCD05884611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.822

Distribution Coefficient, logD

-0.397

Water Solubility, LogSw

-3.29

Polar Surface Area

61.676

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

10.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

7287-0670 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7287-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7287-0670?
Check Price and Availability of 7287-0670, 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 7287-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7287-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7287-0670
  • 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 7287-0670 available by request