7617-0126 Screening compound: ethyl 4-methyl-2-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)-1,3-thiazole-5-carboxylate

7617-0126 Screening compound: ethyl 4-methyl-2-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)-1,3-thiazole-5-carboxylate
7617-0126 Screening compound: ethyl 4-methyl-2-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7617-0126
ethyl 4-methyl-2-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)-1,3-thiazole-5-carboxylate

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

7617-0126

Molecular Formula

C12H14N4O3S4 (C12 H14 N4 O3 S4)

Compound Name

ethyl 4-methyl-2-(2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 4-methyl-2-(2-{[3-(methylsulfanyl)-124-thiadiazol-5-yl]sulfanyl}acetamido)-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(NC(CSc2nc(SC)ns2)=O)s1)=O

InChI

InChI=1S/C12H14N4O3S4/c1-4-19-9(18)8-6(2)13-10(22-8)14-7(17)5-21-12-15-11(20-3)16-23-12/h4-5H2,1-3H3,(H,13,14,17)

InChI Key

FIQKRXHUYLHDRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06752491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.547

Distribution Coefficient, logD

3.504

Water Solubility, LogSw

-3.64

Polar Surface Area

73.394

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

7617-0126 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7617-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7617-0126?
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What is the minimum amount of 7617-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7617-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7617-0126
  • 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 7617-0126 available by request