D396-0088 Screening compound: 3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

D396-0088 Screening compound: 3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
D396-0088 Screening compound: 3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D396-0088
3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-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

D396-0088

Molecular Formula

C18H15FN4OS (C18 H15 FN4 OS)

Compound Name

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

IUPAC name

3-(2-ethoxyphenyl)-6-(4-fluorophenyl)-7H-[124]triazolo[34-b][134]thiadiazine

SMILES

CCOc(cccc1)c1-c1nnc2SCC(c(cc3)ccc3F)=Nn12

InChI

InChI=1S/C18H15FN4OS/c1-2-24-16-6-4-3-5-14(16)17-20-21-18-23(17)22-15(11-25-18)12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3

InChI Key

LURZMGFICAQXKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.077

Distribution Coefficient, logD

4.073

Water Solubility, LogSw

-4.31

Polar Surface Area

41.168

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D396-0088 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D396-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D396-0088?
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What is the minimum amount of D396-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D396-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D396-0088
  • 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 D396-0088 available by request