7238-1450 Screening compound: N-(3,4-dimethylphenyl)-3-methyl-6-(4-methylphenyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

7238-1450 Screening compound: N-(3,4-dimethylphenyl)-3-methyl-6-(4-methylphenyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
7238-1450 Screening compound: N-(3,4-dimethylphenyl)-3-methyl-6-(4-methylphenyl)-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 7238-1450
N-(3,4-dimethylphenyl)-3-methyl-6-(4-methylphenyl)-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

7238-1450

Molecular Formula

C21H23N5OS (C21 H23 N5 OS)

Compound Name

N-(3,4-dimethylphenyl)-3-methyl-6-(4-methylphenyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

IUPAC name

N-(34-dimethylphenyl)-3-methyl-6-(4-methylphenyl)-5H6H7H-[124]triazolo[34-b][134]thiadiazine-7-carboxamide

SMILES

Cc(n1NC2c3ccc(C)cc3)nnc1SC2C(Nc1cc(C)c(C)cc1)=O

InChI

InChI=1S/C21H23N5OS/c1-12-5-8-16(9-6-12)18-19(28-21-24-23-15(4)26(21)25-18)20(27)22-17-10-7-13(2)14(3)11-17/h5-11,18-19,25H,1-4H3,(H,22,27)

InChI Key

QQLTZVPOVWVYOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08098485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.012

Distribution Coefficient, logD

4.012

Water Solubility, LogSw

-3.94

Polar Surface Area

60.832

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

7238-1450 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7238-1450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-1450?
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What is the minimum amount of 7238-1450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-1450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-1450
  • 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 7238-1450 available by request