7238-2039 Screening compound: 6-(4-methylphenyl)-3-phenyl-N-(2,4,6-trimethylphenyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

7238-2039 Screening compound: 6-(4-methylphenyl)-3-phenyl-N-(2,4,6-trimethylphenyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
7238-2039 Screening compound: 6-(4-methylphenyl)-3-phenyl-N-(2,4,6-trimethylphenyl)-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 7238-2039
6-(4-methylphenyl)-3-phenyl-N-(2,4,6-trimethylphenyl)-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

7238-2039

Molecular Formula

C27H27N5OS (C27 H27 N5 OS)

Compound Name

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

IUPAC name

6-(4-methylphenyl)-3-phenyl-N-(246-trimethylphenyl)-5H6H7H-[124]triazolo[34-b][134]thiadiazine-7-carboxamide

SMILES

Cc1ccc(C(C(C(Nc2c(C)cc(C)cc2C)=O)S2)Nn3c2nnc3-c2ccccc2)cc1

InChI

InChI=1S/C27H27N5OS/c1-16-10-12-20(13-11-16)23-24(26(33)28-22-18(3)14-17(2)15-19(22)4)34-27-30-29-25(32(27)31-23)21-8-6-5-7-9-21/h5-15,23-24,31H,1-4H3,(H,28,33)

InChI Key

PXJJFBYTIZPQHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.660

Distribution Coefficient, logD

5.660

Water Solubility, LogSw

-5.46

Polar Surface Area

58.387

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 7238-2039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-2039?
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What is the minimum amount of 7238-2039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-2039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-2039
  • 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 7238-2039 available by request