7238-1860 Screening compound: 4-[6-(4-ethoxyphenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl]morpholine

7238-1860 Screening compound: 4-[6-(4-ethoxyphenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl]morpholine
7238-1860 Screening compound: 4-[6-(4-ethoxyphenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7238-1860
4-[6-(4-ethoxyphenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl]morpholine

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

7238-1860

Molecular Formula

C23H25N5O3S (C23 H25 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(C(C(C(N2CCOCC2)=O)S2)Nn3c2nnc3-c2ccccc2)cc1

InChI

InChI=1S/C23H25N5O3S/c1-2-31-18-10-8-16(9-11-18)19-20(22(29)27-12-14-30-15-13-27)32-23-25-24-21(28(23)26-19)17-6-4-3-5-7-17/h3-11,19-20,26H,2,12-15H2,1H3

InChI Key

ZHURVGZNHRBSTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.090

Distribution Coefficient, logD

3.090

Water Solubility, LogSw

-3.17

Polar Surface Area

68.372

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

7238-1860 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 7238-1860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-1860?
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What is the minimum amount of 7238-1860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-1860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-1860
  • 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 7238-1860 available by request