7238-1087 Screening compound: N-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-3-methyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

7238-1087 Screening compound: N-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-3-methyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
7238-1087 Screening compound: N-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-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 7238-1087
N-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-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

7238-1087

Molecular Formula

C18H14BrF2N5OS (C18 H14 BrF2 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(n1NC2c(cc3)ccc3F)nnc1SC2C(Nc(ccc(Br)c1)c1F)=O

InChI

InChI=1S/C18H14BrF2N5OS/c1-9-23-24-18-26(9)25-15(10-2-5-12(20)6-3-10)16(28-18)17(27)22-14-7-4-11(19)8-13(14)21/h2-8,15-16,25H,1H3,(H,22,27)

InChI Key

PLUBASWJXWBCJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08098545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.31

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

3.609

Distribution Coefficient, logD

3.510

Water Solubility, LogSw

-3.81

Polar Surface Area

60.134

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.70

7238-1087 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

KRAS-Targeted Library (16000 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 7238-1087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-1087?
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What is the minimum amount of 7238-1087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-1087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-1087
  • 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 7238-1087 available by request