D487-0312 Screening compound: methyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate

D487-0312 Screening compound: methyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate
D487-0312 Screening compound: methyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0312
methyl 2-{2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]acetamido}-4-methyl-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

D487-0312

Molecular Formula

C12H13N5O4S2 (C12 H13 N5 O4 S2)

Compound Name

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

IUPAC name

methyl 2-{2-[(3-hydroxy-6-methyl-124-triazin-5-yl)sulfanyl]acetamido}-4-methyl-13-thiazole-5-carboxylate

SMILES

Cc1c(C(OC)=O)sc(NC(CSc2nc(O)nnc2C)=O)n1

InChI

InChI=1S/C12H13N5O4S2/c1-5-8(10(19)21-3)23-12(13-5)14-7(18)4-22-9-6(2)16-17-11(20)15-9/h4H2,1-3H3,(H,13,14,18)(H,15,17,20)

InChI Key

RLPDSDBMCDJHEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.778

Distribution Coefficient, logD

0.728

Water Solubility, LogSw

-1.66

Polar Surface Area

104.221

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D487-0312 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

RNA-Protein Interaction Inhibitors Library (1986 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 D487-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0312?
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What is the minimum amount of D487-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0312
  • 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 D487-0312 available by request