3652-0135 Screening compound: 4,5-dimethyl 2-[1-(2-ethylbutanoyl)-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate

3652-0135 Screening compound: 4,5-dimethyl 2-[1-(2-ethylbutanoyl)-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
3652-0135 Screening compound: 4,5-dimethyl 2-[1-(2-ethylbutanoyl)-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 3652-0135
4,5-dimethyl 2-[1-(2-ethylbutanoyl)-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

3652-0135

Molecular Formula

C24H27NO5S3 (C24 H27 NO5 S3)

Compound Name

4,5-dimethyl 2-[1-(2-ethylbutanoyl)-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-(2-ethylbutanoyl)-22-dimethyl-3-sulfanylidene-1234-tetrahydroquinolin-4-ylidene]-2H-13-dithiole-45-dicarboxylate

SMILES

CCC(CC)C(N(C(C)(C)C1=S)c(cccc2)c2C1=C1SC(C(OC)=O)=C(C(OC)=O)S1)=O

InChI

InChI=1S/C24H27NO5S3/c1-7-13(8-2)20(26)25-15-12-10-9-11-14(15)16(19(31)24(25,3)4)23-32-17(21(27)29-5)18(33-23)22(28)30-6/h9-13H,7-8H2,1-6H3

InChI Key

MVHITKRUCBDDMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02127857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.68

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.529

Distribution Coefficient, logD

5.529

Water Solubility, LogSw

-5.48

Polar Surface Area

57.054

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

-4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with 3652-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3652-0135?
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What is the minimum amount of 3652-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3652-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3652-0135
  • 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 3652-0135 available by request