3807-5278 Screening compound: 1-{4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one

3807-5278 Screening compound: 1-{4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
3807-5278 Screening compound: 1-{4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-5278
1-{4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-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

3807-5278

Molecular Formula

C17H15N3OS5 (C17 H15 N3 OS5)

Compound Name

1-{4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one

IUPAC name

1-{44-dimethyl-1-sulfanylidene-1H4H5H-[12]dithiolo[34-c]quinolin-5-yl}-2-[(5-methyl-134-thiadiazol-2-yl)sulfanyl]ethan-1-one

SMILES

CC1(C)N(C(CSc2nnc(C)s2)=O)c(cccc2)c2C2=C1SSC2=S

InChI

InChI=1S/C17H15N3OS5/c1-9-18-19-16(24-9)23-8-12(21)20-11-7-5-4-6-10(11)13-14(17(20,2)3)25-26-15(13)22/h4-7H,8H2,1-3H3

InChI Key

LYRPWYQFIGLUBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.543

Distribution Coefficient, logD

3.543

Water Solubility, LogSw

-3.88

Polar Surface Area

36.578

Acid Dissociation Constant (pKa)

19.23

Base Dissociation Constant (pKb)

-2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

3807-5278 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 3807-5278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-5278?
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What is the minimum amount of 3807-5278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-5278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-5278
  • 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 3807-5278 available by request