8017-2589 Screening compound: 2-{4-[(4-benzylpiperazino)carbothioyl]-2-methoxyphenoxy}acetamide

8017-2589 Screening compound: 2-{4-[(4-benzylpiperazino)carbothioyl]-2-methoxyphenoxy}acetamide
8017-2589 Screening compound: 2-{4-[(4-benzylpiperazino)carbothioyl]-2-methoxyphenoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2589
2-{4-[(4-benzylpiperazino)carbothioyl]-2-methoxyphenoxy}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

8017-2589

Molecular Formula

C21H25N3O3S (C21 H25 N3 O3 S)

Compound Name

2-{4-[(4-benzylpiperazino)carbothioyl]-2-methoxyphenoxy}acetamide

IUPAC name

2-[4-(4-benzylpiperazine-1-carbothioyl)-2-methoxyphenoxy]acetamide

SMILES

COc(cc(cc1)C(N2CCN(Cc3ccccc3)CC2)=S)c1OCC(N)=O

InChI

InChI=1S/C21H25N3O3S/c1-26-19-13-17(7-8-18(19)27-15-20(22)25)21(28)24-11-9-23(10-12-24)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H2,22,25)

InChI Key

RNBACXSSOHOBDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.925

Distribution Coefficient, logD

1.912

Water Solubility, LogSw

-2.59

Polar Surface Area

54.331

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8017-2589 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
Targets:
  • Proteases
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8017-2589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2589?
Check Price and Availability of 8017-2589, 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 8017-2589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2589
  • 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 8017-2589 available by request