7238-1003 Screening compound: 6-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-3-methyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

7238-1003 Screening compound: 6-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-3-methyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
7238-1003 Screening compound: 6-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-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 7238-1003
6-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-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

7238-1003

Molecular Formula

C20H20ClN5OS (C20 H20 ClN5 OS)

Compound Name

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

IUPAC name

6-(4-chlorophenyl)-N-(35-dimethylphenyl)-3-methyl-5H6H7H-[124]triazolo[34-b][134]thiadiazine-7-carboxamide

SMILES

Cc(n1NC2c(cc3)ccc3Cl)nnc1SC2C(Nc1cc(C)cc(C)c1)=O

InChI

InChI=1S/C20H20ClN5OS/c1-11-8-12(2)10-16(9-11)22-19(27)18-17(14-4-6-15(21)7-5-14)25-26-13(3)23-24-20(26)28-18/h4-10,17-18,25H,1-3H3,(H,22,27)

InChI Key

DPDMIAZSABQKGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07433392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.889

Distribution Coefficient, logD

3.889

Water Solubility, LogSw

-4.55

Polar Surface Area

60.832

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

7238-1003 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 7238-1003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-1003?
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What is the minimum amount of 7238-1003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-1003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-1003
  • 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 7238-1003 available by request