8009-1595 Screening compound: N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-({3-[({[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}sulfanyl)acetamide

8009-1595 Screening compound: N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-({3-[({[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}sulfanyl)acetamide
8009-1595 Screening compound: N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-({3-[({[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1595
N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-({3-[({[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}sulfanyl)acetamide

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

8009-1595

Molecular Formula

C13H12N10O2S7 (C13 H12 N10 O2 S7)

Compound Name

N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-({3-[({[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}sulfanyl)acetamide

IUPAC name

N-[5-(methylsulfanyl)-134-thiadiazol-2-yl]-2-({3-[({[5-(methylsulfanyl)-134-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-[124]triazolo[34-b][134]thiadiazol-6-yl}sulfanyl)acetamide

SMILES

CSc1nnc(NC(CSc2nnc3sc(SCC(Nc4nnc(SC)s4)=O)nn23)=O)s1

InChI

InChI=1S/C13H12N10O2S7/c1-26-11-20-16-7(30-11)14-5(24)3-28-9-18-19-10-23(9)22-13(32-10)29-4-6(25)15-8-17-21-12(27-2)31-8/h3-4H2,1-2H3,(H,14,16,24)(H,15,17,25)

InChI Key

GDIAMRBCQBZPMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01461636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.77

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.223

Distribution Coefficient, logD

3.221

Water Solubility, LogSw

-3.36

Polar Surface Area

125.775

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

8009-1595 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 8009-1595 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1595
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1595
  • 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 8009-1595 available by request