8015-9085 Screening compound: dimethyl 2-[6-methoxy-2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinyliden]-1,3-dithiole-4,5-dicarboxylate

8015-9085 Screening compound: dimethyl 2-[6-methoxy-2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinyliden]-1,3-dithiole-4,5-dicarboxylate
8015-9085 Screening compound: dimethyl 2-[6-methoxy-2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinyliden]-1,3-dithiole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-9085
dimethyl 2-[6-methoxy-2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinyliden]-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

8015-9085

Molecular Formula

C27H33NO6S3 (C27 H33 NO6 S3)

Compound Name

dimethyl 2-[6-methoxy-2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinyliden]-1,3-dithiole-4,5-dicarboxylate

IUPAC name

45-dimethyl 2-[6-methoxy-22-dimethyl-1-(2-propylpentanoyl)-3-sulfanylidene-1234-tetrahydroquinolin-4-ylidene]-2H-13-dithiole-45-dicarboxylate

SMILES

CCCC(CCC)C(N(C(C)(C)C1=S)c(ccc(OC)c2)c2C1=C1SC(C(OC)=O)=C(C(OC)=O)S1)=O

InChI

InChI=1S/C27H33NO6S3/c1-8-10-15(11-9-2)23(29)28-18-13-12-16(32-5)14-17(18)19(22(35)27(28,3)4)26-36-20(24(30)33-6)21(37-26)25(31)34-7/h12-15H,8-11H2,1-7H3

InChI Key

LSZOCDZWJYFKSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.76

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.933

Distribution Coefficient, logD

6.933

Water Solubility, LogSw

-5.77

Polar Surface Area

64.597

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.15

8015-9085 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-9085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-9085?
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What is the minimum amount of 8015-9085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-9085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-9085
  • 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 8015-9085 available by request