7238-2059 Screening compound: 2-methyl-1-[6-(4-methylphenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl]piperidine

7238-2059 Screening compound: 2-methyl-1-[6-(4-methylphenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl]piperidine
7238-2059 Screening compound: 2-methyl-1-[6-(4-methylphenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7238-2059
2-methyl-1-[6-(4-methylphenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl]piperidine

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

7238-2059

Molecular Formula

C24H27N5OS (C24 H27 N5 OS)

Compound Name

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

IUPAC name

2-methyl-1-[6-(4-methylphenyl)-3-phenyl-5H6H7H-[124]triazolo[34-b][134]thiadiazine-7-carbonyl]piperidine

SMILES

CC(CCCC1)N1C(C1Sc2nnc(-c3ccccc3)n2NC1c1ccc(C)cc1)=O

InChI

InChI=1S/C24H27N5OS/c1-16-11-13-18(14-12-16)20-21(23(30)28-15-7-6-8-17(28)2)31-24-26-25-22(29(24)27-20)19-9-4-3-5-10-19/h3-5,9-14,17,20-21,27H,6-8,15H2,1-2H3

InChI Key

LPGWRXCPBZMJIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.540

Distribution Coefficient, logD

4.540

Water Solubility, LogSw

-4.12

Polar Surface Area

52.625

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

37.50

7238-2059 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 7238-2059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-2059?
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What is the minimum amount of 7238-2059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-2059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-2059
  • 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 7238-2059 available by request