6043-0009 Screening compound: 2-{4-amino-6-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-1,3,5-triazin-2-yl}phenol

6043-0009 Screening compound: 2-{4-amino-6-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-1,3,5-triazin-2-yl}phenol
6043-0009 Screening compound: 2-{4-amino-6-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-1,3,5-triazin-2-yl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6043-0009
2-{4-amino-6-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-1,3,5-triazin-2-yl}phenol

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

6043-0009

Molecular Formula

C18H16N4OS (C18 H16 N4 OS)

Compound Name

2-{4-amino-6-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-1,3,5-triazin-2-yl}phenol

IUPAC name

2-{4-amino-6-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-135-triazin-2-yl}phenol

SMILES

CSc1ccc(/C=C/c2nc(N)nc(-c(cccc3)c3O)n2)cc1

InChI

InChI=1S/C18H16N4OS/c1-24-13-9-6-12(7-10-13)8-11-16-20-17(22-18(19)21-16)14-4-2-3-5-15(14)23/h2-11,23H,1H3,(H2,19,20,21,22)

InChI Key

OCTUFSNAQJJJMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03643682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.486

Distribution Coefficient, logD

4.486

Water Solubility, LogSw

-3.82

Polar Surface Area

67.566

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

6043-0009 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Carbonic Anhydrase II Library (4939 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6043-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6043-0009?
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What is the minimum amount of 6043-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6043-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6043-0009
  • 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 6043-0009 available by request