8012-2835 Screening compound: 2-methoxy-5-[(E)-{[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl]phenol

8012-2835 Screening compound: 2-methoxy-5-[(E)-{[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl]phenol
8012-2835 Screening compound: 2-methoxy-5-[(E)-{[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2835
2-methoxy-5-[(E)-{[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl]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

8012-2835

Molecular Formula

C11H9F3N4O2S (C11 H9 F3 N4 O2 S)

Compound Name

2-methoxy-5-[(E)-{[3-sulfanyl-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]imino}methyl]phenol

IUPAC name

2-methoxy-5-[(E)-{[3-sulfanyl-5-(trifluoromethyl)-4H-124-triazol-4-yl]imino}methyl]phenol

SMILES

COc(ccc(/C=N/n1c(S)nnc1C(F)(F)F)c1)c1O

InChI

InChI=1S/C11H9F3N4O2S/c1-20-8-3-2-6(4-7(8)19)5-15-18-9(11(12,13)14)16-17-10(18)21/h2-5,19H,1H3,(H,17,21)

InChI Key

ZIYNKKNAQUMLPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02728976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.545

Distribution Coefficient, logD

0.799

Water Solubility, LogSw

-1.95

Polar Surface Area

58.529

Acid Dissociation Constant (pKa)

6.74

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8012-2835 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-2835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2835?
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What is the minimum amount of 8012-2835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2835
  • 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 8012-2835 available by request