2989-0118 Screening compound: 3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenyl-1,3-thiazolidin-4-one

2989-0118 Screening compound: 3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenyl-1,3-thiazolidin-4-one
2989-0118 Screening compound: 3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenyl-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2989-0118
3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenyl-1,3-thiazolidin-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

2989-0118

Molecular Formula

C17H25N3OS (C17 H25 N3 OS)

Compound Name

3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenyl-1,3-thiazolidin-4-one

IUPAC name

3-[3-(4-methylpiperazin-1-yl)propyl]-2-phenyl-13-thiazolidin-4-one

SMILES

CN1CCN(CCCN(C(c2ccccc2)SC2)C2=O)CC1

InChI

InChI=1S/C17H25N3OS/c1-18-10-12-19(13-11-18)8-5-9-20-16(21)14-22-17(20)15-6-3-2-4-7-15/h2-4,6-7,17H,5,8-14H2,1H3/t17-/m0/s1

InChI Key

HQQCAFZDJZIEMH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02047880

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

319.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.585

Distribution Coefficient, logD

0.770

Water Solubility, LogSw

-1.98

Polar Surface Area

24.182

Acid Dissociation Constant (pKa)

17.16

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

2989-0118 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2989-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2989-0118?
Check Price and Availability of 2989-0118, 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 2989-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2989-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2989-0118
  • 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 2989-0118 available by request