7238-1819 Screening compound: 6-(4-ethoxyphenyl)-N-(2-fluorophenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

7238-1819 Screening compound: 6-(4-ethoxyphenyl)-N-(2-fluorophenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
7238-1819 Screening compound: 6-(4-ethoxyphenyl)-N-(2-fluorophenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7238-1819
6-(4-ethoxyphenyl)-N-(2-fluorophenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

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

7238-1819

Molecular Formula

C25H22FN5O2S (C25 H22 FN5 O2 S)

Compound Name

6-(4-ethoxyphenyl)-N-(2-fluorophenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

IUPAC name

6-(4-ethoxyphenyl)-N-(2-fluorophenyl)-3-phenyl-5H6H7H-[124]triazolo[34-b][134]thiadiazine-7-carboxamide

SMILES

CCOc1ccc(C(C(C(Nc(cccc2)c2F)=O)S2)Nn3c2nnc3-c2ccccc2)cc1

InChI

InChI=1S/C25H22FN5O2S/c1-2-33-18-14-12-16(13-15-18)21-22(24(32)27-20-11-7-6-10-19(20)26)34-25-29-28-23(31(25)30-21)17-8-4-3-5-9-17/h3-15,21-22,30H,2H2,1H3,(H,27,32)

InChI Key

UZWQJHMCGGVFPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08092669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.980

Distribution Coefficient, logD

4.978

Water Solubility, LogSw

-4.48

Polar Surface Area

66.209

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.00

7238-1819 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 7238-1819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-1819?
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What is the minimum amount of 7238-1819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-1819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-1819
  • 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 7238-1819 available by request