1927-7412 Screening compound: 4-bromo-2-[(E)-[(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl]phenol

1927-7412 Screening compound: 4-bromo-2-[(E)-[(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl]phenol
1927-7412 Screening compound: 4-bromo-2-[(E)-[(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1927-7412
4-bromo-2-[(E)-[(3-phenyl-5-sulfanyl-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

1927-7412

Molecular Formula

C15H11BrN4OS (C15 H11 BrN4 OS)

Compound Name

4-bromo-2-[(E)-[(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl]phenol

IUPAC name

4-bromo-2-[(E)-[(3-phenyl-5-sulfanyl-4H-124-triazol-4-yl)imino]methyl]phenol

SMILES

Oc(cc1)c(/C=N/n2c(S)nnc2-c2ccccc2)cc1Br

InChI

InChI=1S/C15H11BrN4OS/c16-12-6-7-13(21)11(8-12)9-17-20-14(18-19-15(20)22)10-4-2-1-3-5-10/h1-9,21H,(H,19,22)

InChI Key

XUBOZKVQAQSWKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00659883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.758

Distribution Coefficient, logD

2.757

Water Solubility, LogSw

-3.62

Polar Surface Area

50.627

Acid Dissociation Constant (pKa)

6.44

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1927-7412 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 1927-7412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1927-7412?
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What is the minimum amount of 1927-7412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1927-7412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1927-7412
  • 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 1927-7412 available by request