7238-1802 Screening compound: 1-[6-(4-methoxyphenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl]piperidine

7238-1802 Screening compound: 1-[6-(4-methoxyphenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl]piperidine
7238-1802 Screening compound: 1-[6-(4-methoxyphenyl)-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 7238-1802
1-[6-(4-methoxyphenyl)-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

7238-1802

Molecular Formula

C23H25N5O2S (C23 H25 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(C(C(N2CCCCC2)=O)S2)Nn3c2nnc3-c2ccccc2)cc1

InChI

InChI=1S/C23H25N5O2S/c1-30-18-12-10-16(11-13-18)19-20(22(29)27-14-6-3-7-15-27)31-23-25-24-21(28(23)26-19)17-8-4-2-5-9-17/h2,4-5,8-13,19-20,26H,3,6-7,14-15H2,1H3

InChI Key

KRRJQOYLQRUYDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09426429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.862

Distribution Coefficient, logD

3.862

Water Solubility, LogSw

-3.94

Polar Surface Area

60.884

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

7238-1802 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 7238-1802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-1802?
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What is the minimum amount of 7238-1802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-1802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-1802
  • 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 7238-1802 available by request