G617-0054 Screening compound: 3-[4-(2-chlorophenyl)piperazin-1-yl]-4H-thiochromen-4-one

G617-0054 Screening compound: 3-[4-(2-chlorophenyl)piperazin-1-yl]-4H-thiochromen-4-one
G617-0054 Screening compound: 3-[4-(2-chlorophenyl)piperazin-1-yl]-4H-thiochromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G617-0054
3-[4-(2-chlorophenyl)piperazin-1-yl]-4H-thiochromen-4-one

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

G617-0054

Molecular Formula

C19H17ClN2OS (C19 H17 ClN2 OS)

Compound Name

3-[4-(2-chlorophenyl)piperazin-1-yl]-4H-thiochromen-4-one

IUPAC name

3-[4-(2-chlorophenyl)piperazin-1-yl]-4H-thiochromen-4-one

SMILES

O=C1C(N(CC2)CCN2c(cccc2)c2Cl)=CSc2c1cccc2

InChI

InChI=1S/C19H17ClN2OS/c20-15-6-2-3-7-16(15)21-9-11-22(12-10-21)17-13-24-18-8-4-1-5-14(18)19(17)23/h1-8,13H,9-12H2

InChI Key

HLRAJDMJZWLUCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08003628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.702

Distribution Coefficient, logD

4.702

Water Solubility, LogSw

-4.89

Polar Surface Area

19.444

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

G617-0054 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G617-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G617-0054?
Check Price and Availability of G617-0054, 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 G617-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G617-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G617-0054
  • 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 G617-0054 available by request