8014-2510 Screening compound: [6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol

8014-2510 Screening compound: [6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol
8014-2510 Screening compound: [6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2510
[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol

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

8014-2510

Molecular Formula

C11H9ClN4OS (C11 H9 ClN4 OS)

Compound Name

[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanol

IUPAC name

[6-(4-chlorophenyl)-7H-[124]triazolo[34-b][134]thiadiazin-3-yl]methanol

SMILES

OCc1nnc2SCC(c(cc3)ccc3Cl)=Nn12

InChI

InChI=1S/C11H9ClN4OS/c12-8-3-1-7(2-4-8)9-6-18-11-14-13-10(5-17)16(11)15-9/h1-4,17H,5-6H2

InChI Key

KHZOQILVWCGYJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.74

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

1.820

Distribution Coefficient, logD

1.812

Water Solubility, LogSw

-2.23

Polar Surface Area

52.321

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8014-2510 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8014-2510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2510?
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What is the minimum amount of 8014-2510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2510
  • 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 8014-2510 available by request