4896-4273 Screening compound: 4-[(E)-[(1-methyl-1H-pyrrol-2-yl)methylidene]amino]-5-phenyl-4H-1,2,4-triazole-3-thiol

4896-4273 Screening compound: 4-[(E)-[(1-methyl-1H-pyrrol-2-yl)methylidene]amino]-5-phenyl-4H-1,2,4-triazole-3-thiol
4896-4273 Screening compound: 4-[(E)-[(1-methyl-1H-pyrrol-2-yl)methylidene]amino]-5-phenyl-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-4273
4-[(E)-[(1-methyl-1H-pyrrol-2-yl)methylidene]amino]-5-phenyl-4H-1,2,4-triazole-3-thiol

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

4896-4273

Molecular Formula

C14H13N5S (C14 H13 N5 S)

Compound Name

4-[(E)-[(1-methyl-1H-pyrrol-2-yl)methylidene]amino]-5-phenyl-4H-1,2,4-triazole-3-thiol

IUPAC name

4-[(E)-[(1-methyl-1H-pyrrol-2-yl)methylidene]amino]-5-phenyl-4H-124-triazole-3-thiol

SMILES

Cn1c(/C=N/n2c(S)nnc2-c2ccccc2)ccc1

InChI

InChI=1S/C14H13N5S/c1-18-9-5-8-12(18)10-15-19-13(16-17-14(19)20)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,20)

InChI Key

VQZBHYGCFNKMGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02222426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.864

Distribution Coefficient, logD

2.152

Water Solubility, LogSw

-2.95

Polar Surface Area

36.976

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

4896-4273 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4896-4273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-4273?
Check Price and Availability of 4896-4273, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4896-4273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-4273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-4273
  • 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 4896-4273 available by request