7238-1603 Screening compound: 1-[6-(4-chlorophenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl]-2,6-dimethylpiperidine

7238-1603 Screening compound: 1-[6-(4-chlorophenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl]-2,6-dimethylpiperidine
7238-1603 Screening compound: 1-[6-(4-chlorophenyl)-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 7238-1603
1-[6-(4-chlorophenyl)-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

7238-1603

Molecular Formula

C24H26ClN5OS (C24 H26 ClN5 OS)

Compound Name

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

SMILES

CC(CCCC1C)N1C(C1Sc2nnc(-c3ccccc3)n2NC1c(cc1)ccc1Cl)=O

InChI

InChI=1S/C24H26ClN5OS/c1-15-7-6-8-16(2)29(15)23(31)21-20(17-11-13-19(25)14-12-17)28-30-22(26-27-24(30)32-21)18-9-4-3-5-10-18/h3-5,9-16,20-21,28H,6-8H2,1-2H3

InChI Key

IETFRRRDVIJBEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08098715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.02

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

4.965

Distribution Coefficient, logD

4.965

Water Solubility, LogSw

-5.27

Polar Surface Area

51.564

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

37.50

7238-1603 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 7238-1603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-1603?
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What is the minimum amount of 7238-1603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-1603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-1603
  • 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 7238-1603 available by request