7238-1877 Screening compound: 6-(4-ethoxyphenyl)-N-[(oxolan-2-yl)methyl]-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

7238-1877 Screening compound: 6-(4-ethoxyphenyl)-N-[(oxolan-2-yl)methyl]-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
7238-1877 Screening compound: 6-(4-ethoxyphenyl)-N-[(oxolan-2-yl)methyl]-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7238-1877
6-(4-ethoxyphenyl)-N-[(oxolan-2-yl)methyl]-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

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

7238-1877

Molecular Formula

C24H27N5O3S (C24 H27 N5 O3 S)

Compound Name

6-(4-ethoxyphenyl)-N-[(oxolan-2-yl)methyl]-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

IUPAC name

6-(4-ethoxyphenyl)-N-[(oxolan-2-yl)methyl]-3-phenyl-5H6H7H-[124]triazolo[34-b][134]thiadiazine-7-carboxamide

SMILES

CCOc1ccc(C(C(C(NCC2OCCC2)=O)S2)Nn3c2nnc3-c2ccccc2)cc1

InChI

InChI=1S/C24H27N5O3S/c1-2-31-18-12-10-16(11-13-18)20-21(23(30)25-15-19-9-6-14-32-19)33-24-27-26-22(29(24)28-20)17-7-4-3-5-8-17/h3-5,7-8,10-13,19-21,28H,2,6,9,14-15H2,1H3,(H,25,30)

InChI Key

LUTTXMKSUXRNEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08098662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.294

Distribution Coefficient, logD

3.294

Water Solubility, LogSw

-3.36

Polar Surface Area

76.883

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

37.50

7238-1877 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 7238-1877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-1877?
Check Price and Availability of 7238-1877, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7238-1877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-1877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-1877
  • 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 7238-1877 available by request