3389-0798 Screening compound: 1-{4,4,7,8-tetramethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}propan-1-one

3389-0798 Screening compound: 1-{4,4,7,8-tetramethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}propan-1-one
3389-0798 Screening compound: 1-{4,4,7,8-tetramethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3389-0798
1-{4,4,7,8-tetramethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}propan-1-one

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

3389-0798

Molecular Formula

C17H19NOS3 (C17 H19 NOS3)

Compound Name

1-{4,4,7,8-tetramethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}propan-1-one

IUPAC name

1-{4478-tetramethyl-1-sulfanylidene-1H4H5H-[12]dithiolo[34-c]quinolin-5-yl}propan-1-one

SMILES

CCC(N(C1(C)C)c(cc(C)c(C)c2)c2C2=C1SSC2=S)=O

InChI

InChI=1S/C17H19NOS3/c1-6-13(19)18-12-8-10(3)9(2)7-11(12)14-15(17(18,4)5)21-22-16(14)20/h7-8H,6H2,1-5H3

InChI Key

FHUBXUGUEODTMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01036897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.581

Distribution Coefficient, logD

4.581

Water Solubility, LogSw

-4.46

Polar Surface Area

14.179

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

3389-0798 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3389-0798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-0798?
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What is the minimum amount of 3389-0798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-0798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-0798
  • 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 3389-0798 available by request