4151-0498 Screening compound: 1-{8-methoxy-4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

4151-0498 Screening compound: 1-{8-methoxy-4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
4151-0498 Screening compound: 1-{8-methoxy-4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4151-0498
1-{8-methoxy-4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-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

4151-0498

Molecular Formula

C24H22N4O2S4 (C24 H22 N4 O2 S4)

Compound Name

1-{8-methoxy-4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

IUPAC name

1-{8-methoxy-44-dimethyl-1-sulfanylidene-1H4H5H-[12]dithiolo[34-c]quinolin-5-yl}-2-{[5-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}ethan-1-one

SMILES

CC1(C)N(C(CSc2nnc(-c3ccc(C)cc3)[nH]2)=O)c(ccc(OC)c2)c2C2=C1SSC2=S

InChI

InChI=1S/C24H22N4O2S4/c1-13-5-7-14(8-6-13)21-25-23(27-26-21)32-12-18(29)28-17-10-9-15(30-4)11-16(17)19-20(24(28,2)3)33-34-22(19)31/h5-11H,12H2,1-4H3,(H,25,26,27)

InChI Key

DLAUXSQRNHOSQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02817279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.73

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.935

Distribution Coefficient, logD

3.759

Water Solubility, LogSw

-4.60

Polar Surface Area

53.958

Acid Dissociation Constant (pKa)

5.41

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4151-0498 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 4151-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4151-0498?
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What is the minimum amount of 4151-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4151-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4151-0498
  • 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 4151-0498 available by request