3389-1355 Screening compound: 4,5-dimethyl 2-[1-(3-bromobenzoyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate

3389-1355 Screening compound: 4,5-dimethyl 2-[1-(3-bromobenzoyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
3389-1355 Screening compound: 4,5-dimethyl 2-[1-(3-bromobenzoyl)-6-ethoxy-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 3389-1355
4,5-dimethyl 2-[1-(3-bromobenzoyl)-6-ethoxy-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

3389-1355

Molecular Formula

C27H24BrNO6S3 (C27 H24 BrNO6 S3)

Compound Name

4,5-dimethyl 2-[1-(3-bromobenzoyl)-6-ethoxy-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-(3-bromobenzoyl)-6-ethoxy-22-dimethyl-3-sulfanylidene-1234-tetrahydroquinolin-4-ylidene]-2H-13-dithiole-45-dicarboxylate

SMILES

CCOc(cc1)cc(C(C(C2(C)C)=S)=C3SC(C(OC)=O)=C(C(OC)=O)S3)c1N2C(c1cccc(Br)c1)=O

InChI

InChI=1S/C27H24BrNO6S3/c1-6-35-16-10-11-18-17(13-16)19(26-37-20(24(31)33-4)21(38-26)25(32)34-5)22(36)27(2,3)29(18)23(30)14-8-7-9-15(28)12-14/h7-13H,6H2,1-5H3

InChI Key

MEIBMYKOKGDOBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01171540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

634.59

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.542

Distribution Coefficient, logD

6.542

Water Solubility, LogSw

-5.78

Polar Surface Area

63.906

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-5.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 3389-1355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-1355?
Check Price and Availability of 3389-1355, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3389-1355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-1355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-1355
  • 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 3389-1355 available by request