4151-0291 Screening compound: 4,4,8-trimethyl-5-(pyridine-4-carbonyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

4151-0291 Screening compound: 4,4,8-trimethyl-5-(pyridine-4-carbonyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione
4151-0291 Screening compound: 4,4,8-trimethyl-5-(pyridine-4-carbonyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4151-0291
4,4,8-trimethyl-5-(pyridine-4-carbonyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

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

4151-0291

Molecular Formula

C19H16N2OS3 (C19 H16 N2 OS3)

Compound Name

4,4,8-trimethyl-5-(pyridine-4-carbonyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

IUPAC name

448-trimethyl-5-(pyridine-4-carbonyl)-1H4H5H-[12]dithiolo[34-c]quinoline-1-thione

SMILES

CC1(C)N(C(c2ccncc2)=O)c(ccc(C)c2)c2C2=C1SSC2=S

InChI

InChI=1S/C19H16N2OS3/c1-11-4-5-14-13(10-11)15-16(24-25-18(15)23)19(2,3)21(14)17(22)12-6-8-20-9-7-12/h4-10H,1-3H3

InChI Key

DGXRQIWEGJHSIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02817121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.710

Distribution Coefficient, logD

3.710

Water Solubility, LogSw

-3.90

Polar Surface Area

23.863

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

4151-0291 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4151-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4151-0291?
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What is the minimum amount of 4151-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4151-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4151-0291
  • 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 4151-0291 available by request