7238-2070 Screening compound: 6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

7238-2070 Screening compound: 6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
7238-2070 Screening compound: 6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-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 7238-2070
6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-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

7238-2070

Molecular Formula

C26H25N5OS (C26 H25 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(C2Sc3nnc(-c4ccccc4)n3NC2c2ccc(C)cc2)=O)cc1

InChI

InChI=1S/C26H25N5OS/c1-17-8-12-19(13-9-17)16-27-25(32)23-22(20-14-10-18(2)11-15-20)30-31-24(28-29-26(31)33-23)21-6-4-3-5-7-21/h3-15,22-23,30H,16H2,1-2H3,(H,27,32)

InChI Key

ZGMXBEJNOWFTJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08098685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.896

Distribution Coefficient, logD

4.896

Water Solubility, LogSw

-4.61

Polar Surface Area

61.105

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 7238-2070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-2070?
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What is the minimum amount of 7238-2070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-2070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-2070
  • 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 7238-2070 available by request