8009-9189 Screening compound: 4,5-dimethyl 2-{8-ethoxy-1-[2-(4-fluorophenyl)acetyl]-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate

8009-9189 Screening compound: 4,5-dimethyl 2-{8-ethoxy-1-[2-(4-fluorophenyl)acetyl]-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
8009-9189 Screening compound: 4,5-dimethyl 2-{8-ethoxy-1-[2-(4-fluorophenyl)acetyl]-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9189
4,5-dimethyl 2-{8-ethoxy-1-[2-(4-fluorophenyl)acetyl]-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate

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

8009-9189

Molecular Formula

C28H26FNO6S3 (C28 H26 FNO6 S3)

Compound Name

4,5-dimethyl 2-{8-ethoxy-1-[2-(4-fluorophenyl)acetyl]-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate

IUPAC name

45-dimethyl 2-{8-ethoxy-1-[2-(4-fluorophenyl)acetyl]-22-dimethyl-3-sulfanylidene-1234-tetrahydroquinolin-4-ylidene}-2H-13-dithiole-45-dicarboxylate

SMILES

CCOc1cccc(C(C(C2(C)C)=S)=C3SC(C(OC)=O)=C(C(OC)=O)S3)c1N2C(Cc(cc1)ccc1F)=O

InChI

InChI=1S/C28H26FNO6S3/c1-6-36-18-9-7-8-17-20(27-38-22(25(32)34-4)23(39-27)26(33)35-5)24(37)28(2,3)30(21(17)18)19(31)14-15-10-12-16(29)13-11-15/h7-13H,6,14H2,1-5H3

InChI Key

HRYPAKSIIRLDNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01171549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

587.71

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.642

Distribution Coefficient, logD

5.642

Water Solubility, LogSw

-5.53

Polar Surface Area

64.622

Acid Dissociation Constant (pKa)

16.74

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8009-9189 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8009-9189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9189?
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What is the minimum amount of 8009-9189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9189
  • 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 8009-9189 available by request