8015-6587 Screening compound: 4-(2-bromo-4-methylphenyl)-5-(4-pyridyl)-4H-1,2,4-triazol-3-ylhydrosulfide

8015-6587 Screening compound: 4-(2-bromo-4-methylphenyl)-5-(4-pyridyl)-4H-1,2,4-triazol-3-ylhydrosulfide
8015-6587 Screening compound: 4-(2-bromo-4-methylphenyl)-5-(4-pyridyl)-4H-1,2,4-triazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6587
4-(2-bromo-4-methylphenyl)-5-(4-pyridyl)-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

8015-6587

Molecular Formula

C14H11BrN4S (C14 H11 BrN4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(Br)c1-n1c(S)nnc1-c1ccncc1

InChI

InChI=1S/C14H11BrN4S/c1-9-2-3-12(11(15)8-9)19-13(17-18-14(19)20)10-4-6-16-7-5-10/h2-8H,1H3,(H,18,20)

InChI Key

OGMABELOPYSLCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03669132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.097

Distribution Coefficient, logD

1.062

Water Solubility, LogSw

-2.90

Polar Surface Area

32.585

Acid Dissociation Constant (pKa)

5.37

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

8015-6587 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8015-6587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6587?
Check Price and Availability of 8015-6587, 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 8015-6587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6587
  • 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 8015-6587 available by request