D487-0248 Screening compound: ethyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

D487-0248 Screening compound: ethyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
D487-0248 Screening compound: ethyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0248
ethyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-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

D487-0248

Molecular Formula

C17H20N4O4S2 (C17 H20 N4 O4 S2)

Compound Name

ethyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-{2-[(3-hydroxy-6-methyl-124-triazin-5-yl)sulfanyl]acetamido}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2nc(O)nnc2C)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C17H20N4O4S2/c1-3-25-16(23)13-10-6-4-5-7-11(10)27-15(13)18-12(22)8-26-14-9(2)20-21-17(24)19-14/h3-8H2,1-2H3,(H,18,22)(H,19,21,24)

InChI Key

XTGIUNSPNISATH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.170

Distribution Coefficient, logD

0.040

Water Solubility, LogSw

-2.40

Polar Surface Area

92.892

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

D487-0248 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

RNA-Protein Interaction Inhibitors Library (1986 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 D487-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0248?
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What is the minimum amount of D487-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0248
  • 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 D487-0248 available by request