8014-5017 Screening compound: (5E)-1-acetyl-5-({2-[(4-chlorophenyl)sulfanyl]-6-methoxyquinolin-3-yl}methylidene)-2-sulfanylideneimidazolidin-4-one

8014-5017 Screening compound: (5E)-1-acetyl-5-({2-[(4-chlorophenyl)sulfanyl]-6-methoxyquinolin-3-yl}methylidene)-2-sulfanylideneimidazolidin-4-one
8014-5017 Screening compound: (5E)-1-acetyl-5-({2-[(4-chlorophenyl)sulfanyl]-6-methoxyquinolin-3-yl}methylidene)-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-5017
(5E)-1-acetyl-5-({2-[(4-chlorophenyl)sulfanyl]-6-methoxyquinolin-3-yl}methylidene)-2-sulfanylideneimidazolidin-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

8014-5017

Molecular Formula

C22H16ClN3O3S2 (C22 H16 ClN3 O3 S2)

Compound Name

(5E)-1-acetyl-5-({2-[(4-chlorophenyl)sulfanyl]-6-methoxyquinolin-3-yl}methylidene)-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5E)-1-acetyl-5-({2-[(4-chlorophenyl)sulfanyl]-6-methoxyquinolin-3-yl}methylidene)-2-sulfanylideneimidazolidin-4-one

SMILES

CC(N(/C(/C(N1)=O)=C/c2cc3cc(OC)ccc3nc2Sc(cc2)ccc2Cl)C1=S)=O

InChI

InChI=1S/C22H16ClN3O3S2/c1-12(27)26-19(20(28)25-22(26)30)11-14-9-13-10-16(29-2)5-8-18(13)24-21(14)31-17-6-3-15(23)4-7-17/h3-11H,1-2H3,(H,25,28,30)

InChI Key

JTLZFXYRUAREDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.844

Distribution Coefficient, logD

1.970

Water Solubility, LogSw

-4.89

Polar Surface Area

56.030

Acid Dissociation Constant (pKa)

4.53

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 8014-5017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5017?
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What is the minimum amount of 8014-5017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5017
  • 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 8014-5017 available by request