D084-0560 Screening compound: 2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]-N-[2-(phenylsulfanyl)phenyl]acetamide

D084-0560 Screening compound: 2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]-N-[2-(phenylsulfanyl)phenyl]acetamide
D084-0560 Screening compound: 2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]-N-[2-(phenylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D084-0560
2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]-N-[2-(phenylsulfanyl)phenyl]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

D084-0560

Molecular Formula

C18H16N4O2S2 (C18 H16 N4 O2 S2)

Compound Name

2-[(3-hydroxy-6-methyl-1,2,4-triazin-5-yl)sulfanyl]-N-[2-(phenylsulfanyl)phenyl]acetamide

IUPAC name

2-[(3-hydroxy-6-methyl-124-triazin-5-yl)sulfanyl]-N-[2-(phenylsulfanyl)phenyl]acetamide

SMILES

Cc(c(SCC(Nc(cccc1)c1Sc1ccccc1)=O)n1)nnc1O

InChI

InChI=1S/C18H16N4O2S2/c1-12-17(20-18(24)22-21-12)25-11-16(23)19-14-9-5-6-10-15(14)26-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,23)(H,20,22,24)

InChI Key

XMCCVEBOPQDLHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12922029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.616

Distribution Coefficient, logD

2.609

Water Solubility, LogSw

-2.96

Polar Surface Area

71.454

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D084-0560 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D084-0560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D084-0560?
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What is the minimum amount of D084-0560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D084-0560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D084-0560
  • 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 D084-0560 available by request