7238-1883 Screening compound: 6-(3-chloro-4-methoxyphenyl)-N-(2-fluorophenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

7238-1883 Screening compound: 6-(3-chloro-4-methoxyphenyl)-N-(2-fluorophenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
7238-1883 Screening compound: 6-(3-chloro-4-methoxyphenyl)-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 7238-1883
6-(3-chloro-4-methoxyphenyl)-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

7238-1883

Molecular Formula

C24H19ClFN5O2S (C24 H19 ClFN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C(C(C(Nc(cccc1)c1F)=O)S1)Nn2c1nnc2-c1ccccc1)c1)c1Cl

InChI

InChI=1S/C24H19ClFN5O2S/c1-33-19-12-11-15(13-16(19)25)20-21(23(32)27-18-10-6-5-9-17(18)26)34-24-29-28-22(31(24)30-20)14-7-3-2-4-8-14/h2-13,20-21,30H,1H3,(H,27,32)

InChI Key

BGLLCXALZHMSMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08092683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.084

Distribution Coefficient, logD

5.082

Water Solubility, LogSw

-5.67

Polar Surface Area

66.716

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

12.50

7238-1883 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 7238-1883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-1883?
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What is the minimum amount of 7238-1883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-1883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-1883
  • 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 7238-1883 available by request