7238-1252 Screening compound: N-(5-chloro-2-methylphenyl)-6-(4-ethoxyphenyl)-3-methyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

7238-1252 Screening compound: N-(5-chloro-2-methylphenyl)-6-(4-ethoxyphenyl)-3-methyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
7238-1252 Screening compound: N-(5-chloro-2-methylphenyl)-6-(4-ethoxyphenyl)-3-methyl-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 7238-1252
N-(5-chloro-2-methylphenyl)-6-(4-ethoxyphenyl)-3-methyl-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

7238-1252

Molecular Formula

C21H22ClN5O2S (C21 H22 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(C(C(C(Nc2c(C)ccc(Cl)c2)=O)S2)Nn3c2nnc3C)cc1

InChI

InChI=1S/C21H22ClN5O2S/c1-4-29-16-9-6-14(7-10-16)18-19(30-21-25-24-13(3)27(21)26-18)20(28)23-17-11-15(22)8-5-12(17)2/h5-11,18-19,26H,4H2,1-3H3,(H,23,28)

InChI Key

FKWCBRUQZBZLHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07433430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.726

Distribution Coefficient, logD

3.723

Water Solubility, LogSw

-4.31

Polar Surface Area

67.257

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

7238-1252 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 7238-1252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-1252?
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What is the minimum amount of 7238-1252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-1252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-1252
  • 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 7238-1252 available by request