7238-1859 Screening compound: 1-[6-(4-ethoxyphenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl]-2,6-dimethylpiperidine

7238-1859 Screening compound: 1-[6-(4-ethoxyphenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl]-2,6-dimethylpiperidine
7238-1859 Screening compound: 1-[6-(4-ethoxyphenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl]-2,6-dimethylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7238-1859
1-[6-(4-ethoxyphenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl]-2,6-dimethylpiperidine

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

7238-1859

Molecular Formula

C26H31N5O2S (C26 H31 N5 O2 S)

Compound Name

1-[6-(4-ethoxyphenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl]-2,6-dimethylpiperidine

IUPAC name

1-[6-(4-ethoxyphenyl)-3-phenyl-5H6H7H-[124]triazolo[34-b][134]thiadiazine-7-carbonyl]-26-dimethylpiperidine

SMILES

CCOc1ccc(C(C(C(N2C(C)CCCC2C)=O)S2)Nn3c2nnc3-c2ccccc2)cc1

InChI

InChI=1S/C26H31N5O2S/c1-4-33-21-15-13-19(14-16-21)22-23(25(32)30-17(2)9-8-10-18(30)3)34-26-28-27-24(31(26)29-22)20-11-6-5-7-12-20/h5-7,11-18,22-23,29H,4,8-10H2,1-3H3

InChI Key

JKMXXOBIEXDZTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.739

Distribution Coefficient, logD

4.739

Water Solubility, LogSw

-4.35

Polar Surface Area

58.688

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

42.30

7238-1859 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 7238-1859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-1859?
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What is the minimum amount of 7238-1859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-1859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-1859
  • 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 7238-1859 available by request