4311-1777 Screening compound: 3-butyl-5-[(2Z)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

4311-1777 Screening compound: 3-butyl-5-[(2Z)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
4311-1777 Screening compound: 3-butyl-5-[(2Z)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4311-1777
3-butyl-5-[(2Z)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-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

4311-1777

Molecular Formula

C18H20N2OS2 (C18 H20 N2 OS2)

Compound Name

3-butyl-5-[(2Z)-1-ethyl-1,2-dihydroquinolin-2-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

3-butyl-5-[(2Z)-1-ethyl-12-dihydroquinolin-2-ylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCCCN(C(/C(/S1)=C2/N(CC)c(cccc3)c3C=C2)=O)C1=S

InChI

InChI=1S/C18H20N2OS2/c1-3-5-12-20-17(21)16(23-18(20)22)15-11-10-13-8-6-7-9-14(13)19(15)4-2/h6-11H,3-5,12H2,1-2H3

InChI Key

MRRJVSYZXQEZAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00603630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.802

Distribution Coefficient, logD

4.802

Water Solubility, LogSw

-4.37

Polar Surface Area

20.458

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 4311-1777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4311-1777?
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What is the minimum amount of 4311-1777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4311-1777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4311-1777
  • 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 4311-1777 available by request