8010-9725 Screening compound: (5E)-3-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-5-[(furan-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

8010-9725 Screening compound: (5E)-3-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-5-[(furan-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
8010-9725 Screening compound: (5E)-3-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-5-[(furan-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-9725
(5E)-3-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-5-[(furan-2-yl)methylidene]-2-sulfanylidene-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

8010-9725

Molecular Formula

C26H25N3O2S2 (C26 H25 N3 O2 S2)

Compound Name

(5E)-3-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-5-[(furan-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-3-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-5-[(furan-2-yl)methylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

O=C(/C(/S1)=C\c2ccco2)N(CN(CC2)CCN2C(c2ccccc2)c2ccccc2)C1=S

InChI

InChI=1S/C26H25N3O2S2/c30-25-23(18-22-12-7-17-31-22)33-26(32)29(25)19-27-13-15-28(16-14-27)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,17-18,24H,13-16,19H2

InChI Key

ZEZULCRDTYLZFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02647474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.101

Distribution Coefficient, logD

4.813

Water Solubility, LogSw

-5.11

Polar Surface Area

32.179

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8010-9725 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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 8010-9725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-9725?
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What is the minimum amount of 8010-9725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-9725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-9725
  • 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 8010-9725 available by request