3456-3419 Screening compound: 4,5-dimethyl 2-{1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetyl]-2,2,6,7-tetramethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate

3456-3419 Screening compound: 4,5-dimethyl 2-{1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetyl]-2,2,6,7-tetramethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate
3456-3419 Screening compound: 4,5-dimethyl 2-{1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetyl]-2,2,6,7-tetramethyl-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 3456-3419
4,5-dimethyl 2-{1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetyl]-2,2,6,7-tetramethyl-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

3456-3419

Molecular Formula

C30H26N2O7S3 (C30 H26 N2 O7 S3)

Compound Name

4,5-dimethyl 2-{1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetyl]-2,2,6,7-tetramethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene}-2H-1,3-dithiole-4,5-dicarboxylate

IUPAC name

45-dimethyl 2-{1-[2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)acetyl]-2267-tetramethyl-3-sulfanylidene-1234-tetrahydroquinolin-4-ylidene}-2H-13-dithiole-45-dicarboxylate

SMILES

CC(C)(C1=S)N(C(CN(C(c2c3cccc2)=O)C3=O)=O)c(cc(C)c(C)c2)c2C1=C1SC(C(OC)=O)=C(C(OC)=O)S1

InChI

InChI=1S/C30H26N2O7S3/c1-14-11-18-19(12-15(14)2)32(20(33)13-31-25(34)16-9-7-8-10-17(16)26(31)35)30(3,4)24(40)21(18)29-41-22(27(36)38-5)23(42-29)28(37)39-6/h7-12H,13H2,1-6H3

InChI Key

VRNCZOJDQOACLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

622.74

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.211

Distribution Coefficient, logD

5.211

Water Solubility, LogSw

-5.05

Polar Surface Area

85.779

Acid Dissociation Constant (pKa)

23.07

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with 3456-3419 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-3419
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  • 2–4 weeks for large selections
Delivery formats for 3456-3419
  • 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 3456-3419 available by request