1365-0165 Screening compound: 5-[(2E)-1-ethyl-6-methoxy-1,2-dihydroquinolin-2-ylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

1365-0165 Screening compound: 5-[(2E)-1-ethyl-6-methoxy-1,2-dihydroquinolin-2-ylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
1365-0165 Screening compound: 5-[(2E)-1-ethyl-6-methoxy-1,2-dihydroquinolin-2-ylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1365-0165
5-[(2E)-1-ethyl-6-methoxy-1,2-dihydroquinolin-2-ylidene]-3-(prop-2-en-1-yl)-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

1365-0165

Molecular Formula

C18H18N2O2S2 (C18 H18 N2 O2 S2)

Compound Name

5-[(2E)-1-ethyl-6-methoxy-1,2-dihydroquinolin-2-ylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

5-[(2E)-1-ethyl-6-methoxy-12-dihydroquinolin-2-ylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCN(/C(/C=C1)=C(\C(N2CC=C)=O)/SC2=S)c(cc2)c1cc2OC

InChI

InChI=1S/C18H18N2O2S2/c1-4-10-20-17(21)16(24-18(20)23)15-8-6-12-11-13(22-3)7-9-14(12)19(15)5-2/h4,6-9,11H,1,5,10H2,2-3H3

InChI Key

XBYOQAXURWQKPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00387276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.146

Distribution Coefficient, logD

4.146

Water Solubility, LogSw

-4.35

Polar Surface Area

28.001

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

1365-0165 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 1365-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1365-0165?
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What is the minimum amount of 1365-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1365-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1365-0165
  • 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 1365-0165 available by request