8008-9436 Screening compound: (2Z)-3-ethyl-5-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-2-{[4-(morpholin-4-yl)phenyl]imino}-1,3-thiazolidin-4-one

8008-9436 Screening compound: (2Z)-3-ethyl-5-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-2-{[4-(morpholin-4-yl)phenyl]imino}-1,3-thiazolidin-4-one
8008-9436 Screening compound: (2Z)-3-ethyl-5-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-2-{[4-(morpholin-4-yl)phenyl]imino}-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9436
(2Z)-3-ethyl-5-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-2-{[4-(morpholin-4-yl)phenyl]imino}-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

8008-9436

Molecular Formula

C26H28N4O2S (C26 H28 N4 O2 S)

Compound Name

(2Z)-3-ethyl-5-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-2-{[4-(morpholin-4-yl)phenyl]imino}-1,3-thiazolidin-4-one

IUPAC name

(2Z)-3-ethyl-5-[(2E)-1-ethyl-12-dihydroquinolin-2-ylidene]-2-{[4-(morpholin-4-yl)phenyl]imino}-13-thiazolidin-4-one

SMILES

CCN(C(/C(/S1)=C2\N(CC)c(cccc3)c3C=C2)=O)/C1=N/c(cc1)ccc1N1CCOCC1

InChI

InChI=1S/C26H28N4O2S/c1-3-29-22-8-6-5-7-19(22)9-14-23(29)24-25(31)30(4-2)26(33-24)27-20-10-12-21(13-11-20)28-15-17-32-18-16-28/h5-14H,3-4,15-18H2,1-2H3

InChI Key

DZLDKAIJFRXDSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.638

Distribution Coefficient, logD

4.638

Water Solubility, LogSw

-4.22

Polar Surface Area

39.987

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

8008-9436 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8008-9436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9436?
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What is the minimum amount of 8008-9436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9436
  • 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 8008-9436 available by request