8015-6584 Screening compound: 4-(3-bromo-4-methylphenyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-ylhydrosulfide

8015-6584 Screening compound: 4-(3-bromo-4-methylphenyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-ylhydrosulfide
8015-6584 Screening compound: 4-(3-bromo-4-methylphenyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6584
4-(3-bromo-4-methylphenyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-ylhydrosulfide

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

8015-6584

Molecular Formula

C13H10BrN5S (C13 H10 BrN5 S)

Compound Name

4-(3-bromo-4-methylphenyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-ylhydrosulfide

IUPAC name

4-(3-bromo-4-methylphenyl)-5-(pyrazin-2-yl)-4H-124-triazole-3-thiol

SMILES

Cc(ccc(-n1c(S)nnc1-c1nccnc1)c1)c1Br

InChI

InChI=1S/C13H10BrN5S/c1-8-2-3-9(6-10(8)14)19-12(17-18-13(19)20)11-7-15-4-5-16-11/h2-7H,1H3,(H,18,20)

InChI Key

RBTHSXNHWLTOSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.656

Distribution Coefficient, logD

1.522

Water Solubility, LogSw

-2.30

Polar Surface Area

42.023

Acid Dissociation Constant (pKa)

6.30

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

8015-6584 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8015-6584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6584?
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What is the minimum amount of 8015-6584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6584
  • 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 8015-6584 available by request