D137-0361 Screening compound: N-(2-chlorophenyl)-3-ethyl-6-(4-fluorophenyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

D137-0361 Screening compound: N-(2-chlorophenyl)-3-ethyl-6-(4-fluorophenyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
D137-0361 Screening compound: N-(2-chlorophenyl)-3-ethyl-6-(4-fluorophenyl)-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 D137-0361
N-(2-chlorophenyl)-3-ethyl-6-(4-fluorophenyl)-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

D137-0361

Molecular Formula

C19H17ClFN5OS (C19 H17 ClFN5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCc(n1NC2c(cc3)ccc3F)nnc1SC2C(Nc(cccc1)c1Cl)=O

InChI

InChI=1S/C19H17ClFN5OS/c1-2-15-23-24-19-26(15)25-16(11-7-9-12(21)10-8-11)17(28-19)18(27)22-14-6-4-3-5-13(14)20/h3-10,16-17,25H,2H2,1H3,(H,22,27)

InChI Key

JEEWUNVCVXHXLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08098761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.89

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

3.610

Distribution Coefficient, logD

3.608

Water Solubility, LogSw

-3.84

Polar Surface Area

60.333

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.10

D137-0361 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D137-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D137-0361?
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What is the minimum amount of D137-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D137-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D137-0361
  • 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 D137-0361 available by request