1927-7947 Screening compound: 4-[(E)-{[5-(3-nitrophenyl)furan-2-yl]methylidene}amino]-5-phenyl-4H-1,2,4-triazole-3-thiol

1927-7947 Screening compound: 4-[(E)-{[5-(3-nitrophenyl)furan-2-yl]methylidene}amino]-5-phenyl-4H-1,2,4-triazole-3-thiol
1927-7947 Screening compound: 4-[(E)-{[5-(3-nitrophenyl)furan-2-yl]methylidene}amino]-5-phenyl-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1927-7947
4-[(E)-{[5-(3-nitrophenyl)furan-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

1927-7947

Molecular Formula

C19H13N5O3S (C19 H13 N5 O3 S)

Compound Name

4-[(E)-{[5-(3-nitrophenyl)furan-2-yl]methylidene}amino]-5-phenyl-4H-1,2,4-triazole-3-thiol

IUPAC name

4-[(E)-{[5-(3-nitrophenyl)furan-2-yl]methylidene}amino]-5-phenyl-4H-124-triazole-3-thiol

SMILES

[O-][N+](c1cccc(-c2ccc(/C=N/n3c(S)nnc3-c3ccccc3)o2)c1)=O

InChI

InChI=1S/C19H13N5O3S/c25-24(26)15-8-4-7-14(11-15)17-10-9-16(27-17)12-20-23-18(21-22-19(23)28)13-5-2-1-3-6-13/h1-12H,(H,22,28)

InChI Key

JWSXJLJZPZWYTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00998564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.208

Distribution Coefficient, logD

3.495

Water Solubility, LogSw

-4.57

Polar Surface Area

75.030

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1927-7947 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Frequent Hitters Library (7624 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1927-7947 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1927-7947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1927-7947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1927-7947
  • 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 1927-7947 available by request