8019-5014 Screening compound: 4,5-dimethyl 2-(1-acetyl-8-methoxy-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate

8019-5014 Screening compound: 4,5-dimethyl 2-(1-acetyl-8-methoxy-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
8019-5014 Screening compound: 4,5-dimethyl 2-(1-acetyl-8-methoxy-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 8019-5014
4,5-dimethyl 2-(1-acetyl-8-methoxy-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

8019-5014

Molecular Formula

C21H21NO6S3 (C21 H21 NO6 S3)

Compound Name

4,5-dimethyl 2-(1-acetyl-8-methoxy-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate

IUPAC name

45-dimethyl 2-(1-acetyl-8-methoxy-22-dimethyl-3-sulfanylidene-1234-tetrahydroquinolin-4-ylidene)-2H-13-dithiole-45-dicarboxylate

SMILES

CC(C)(C1=S)N(C(C)=O)c(c(OC)ccc2)c2C1=C1SC(C(OC)=O)=C(C(OC)=O)S1

InChI

InChI=1S/C21H21NO6S3/c1-10(23)22-14-11(8-7-9-12(14)26-4)13(17(29)21(22,2)3)20-30-15(18(24)27-5)16(31-20)19(25)28-6/h7-9H,1-6H3

InChI Key

ZYVDPJYPOAMEFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08573152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.647

Distribution Coefficient, logD

3.647

Water Solubility, LogSw

-4.11

Polar Surface Area

66.309

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8019-5014 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 8019-5014 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8019-5014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5014
  • 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 8019-5014 available by request