8013-2916 Screening compound: 6-(4-fluorophenyl)-3-pentyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

8013-2916 Screening compound: 6-(4-fluorophenyl)-3-pentyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
8013-2916 Screening compound: 6-(4-fluorophenyl)-3-pentyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2916
6-(4-fluorophenyl)-3-pentyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

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

8013-2916

Molecular Formula

C15H17FN4S (C15 H17 FN4 S)

Compound Name

6-(4-fluorophenyl)-3-pentyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

IUPAC name

6-(4-fluorophenyl)-3-pentyl-7H-[124]triazolo[34-b][134]thiadiazine

SMILES

CCCCCc1nnc2SCC(c(cc3)ccc3F)=Nn12

InChI

InChI=1S/C15H17FN4S/c1-2-3-4-5-14-17-18-15-20(14)19-13(10-21-15)11-6-8-12(16)9-7-11/h6-9H,2-5,10H2,1H3

InChI Key

KVHPTXZOCJTKIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.109

Distribution Coefficient, logD

4.106

Water Solubility, LogSw

-4.10

Polar Surface Area

35.206

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8013-2916 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 8013-2916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2916?
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What is the minimum amount of 8013-2916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2916
  • 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 8013-2916 available by request