7238-1889 Screening compound: 6-(3-chloro-4-methoxyphenyl)-N-(3-methylphenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

7238-1889 Screening compound: 6-(3-chloro-4-methoxyphenyl)-N-(3-methylphenyl)-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
7238-1889 Screening compound: 6-(3-chloro-4-methoxyphenyl)-N-(3-methylphenyl)-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 7238-1889
6-(3-chloro-4-methoxyphenyl)-N-(3-methylphenyl)-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

7238-1889

Molecular Formula

C25H22ClN5O2S (C25 H22 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(C2Sc3nnc(-c4ccccc4)n3NC2c(cc2)cc(Cl)c2OC)=O)c1

InChI

InChI=1S/C25H22ClN5O2S/c1-15-7-6-10-18(13-15)27-24(32)22-21(17-11-12-20(33-2)19(26)14-17)30-31-23(28-29-25(31)34-22)16-8-4-3-5-9-16/h3-14,21-22,30H,1-2H3,(H,27,32)

InChI Key

MILJLMLPVTWIML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08092682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492

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

5.365

Distribution Coefficient, logD

5.365

Water Solubility, LogSw

-6.03

Polar Surface Area

67.413

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 7238-1889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-1889?
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What is the minimum amount of 7238-1889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-1889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-1889
  • 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 7238-1889 available by request