7238-1521 Screening compound: N-(3-chloro-4-fluorophenyl)-3,6-diphenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

7238-1521 Screening compound: N-(3-chloro-4-fluorophenyl)-3,6-diphenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
7238-1521 Screening compound: N-(3-chloro-4-fluorophenyl)-3,6-diphenyl-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 7238-1521
N-(3-chloro-4-fluorophenyl)-3,6-diphenyl-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

7238-1521

Molecular Formula

C23H17ClFN5OS (C23 H17 ClFN5 OS)

Compound Name

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

IUPAC name

N-(3-chloro-4-fluorophenyl)-36-diphenyl-5H6H7H-[124]triazolo[34-b][134]thiadiazine-7-carboxamide

SMILES

O=C(C1Sc2nnc(-c3ccccc3)n2NC1c1ccccc1)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C23H17ClFN5OS/c24-17-13-16(11-12-18(17)25)26-22(31)20-19(14-7-3-1-4-8-14)29-30-21(27-28-23(30)32-20)15-9-5-2-6-10-15/h1-13,19-20,29H,(H,26,31)

InChI Key

VPYUVBZONUAIGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14712461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.267

Distribution Coefficient, logD

5.169

Water Solubility, LogSw

-6.02

Polar Surface Area

59.783

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

8.70

7238-1521 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7238-1521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-1521?
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What is the minimum amount of 7238-1521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-1521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-1521
  • 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 7238-1521 available by request