8010-2177 Screening compound: 3-benzyl-5-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-2-[(5Z)-4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one

8010-2177 Screening compound: 3-benzyl-5-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-2-[(5Z)-4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one
8010-2177 Screening compound: 3-benzyl-5-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-2-[(5Z)-4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2177
3-benzyl-5-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-2-[(5Z)-4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-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

8010-2177

Molecular Formula

C27H25N3O2S3 (C27 H25 N3 O2 S3)

Compound Name

3-benzyl-5-[(2E)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-2-[(5Z)-4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-1,3-thiazolidin-4-one

IUPAC name

3-benzyl-5-[(2E)-1-ethyl-12-dihydroquinolin-2-ylidene]-2-[(5Z)-4-oxo-3-propyl-2-sulfanylidene-13-thiazolidin-5-ylidene]-13-thiazolidin-4-one

SMILES

CCCN(C(/C(/S1)=C(\N(Cc2ccccc2)C2=O)/S/C2=C2/N(CC)c(cccc3)c3C=C2)=O)C1=S

InChI

InChI=1S/C27H25N3O2S3/c1-3-16-29-25(32)23(35-27(29)33)26-30(17-18-10-6-5-7-11-18)24(31)22(34-26)21-15-14-19-12-8-9-13-20(19)28(21)4-2/h5-15H,3-4,16-17H2,1-2H3

InChI Key

AUOFJUNTEPPPTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.378

Distribution Coefficient, logD

6.378

Water Solubility, LogSw

-5.55

Polar Surface Area

38.379

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

8010-2177 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 8010-2177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2177?
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What is the minimum amount of 8010-2177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2177
  • 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 8010-2177 available by request