8158-0036 Screening compound: 2-{4-amino-6-[(1E)-2-(thiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl}phenol

8158-0036 Screening compound: 2-{4-amino-6-[(1E)-2-(thiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl}phenol
8158-0036 Screening compound: 2-{4-amino-6-[(1E)-2-(thiophen-2-yl)ethenyl]-1,3,5-triazin-2-yl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8158-0036
2-{4-amino-6-[(1E)-2-(thiophen-2-yl)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

8158-0036

Molecular Formula

C15H12N4OS (C15 H12 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Nc1nc(-c(cccc2)c2O)nc(/C=C/c2cccs2)n1

InChI

InChI=1S/C15H12N4OS/c16-15-18-13(8-7-10-4-3-9-21-10)17-14(19-15)11-5-1-2-6-12(11)20/h1-9,20H,(H2,16,17,18,19)

InChI Key

WGTSXENWDPRVPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06244521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.231

Distribution Coefficient, logD

3.230

Water Solubility, LogSw

-3.20

Polar Surface Area

68.585

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8158-0036 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Antibacterial Compounds Library (13827 compounds)

Carbonic Anhydrase II Library (4939 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8158-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8158-0036?
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What is the minimum amount of 8158-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8158-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8158-0036
  • 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 8158-0036 available by request