D137-0478 Screening compound: N-(2-fluorophenyl)-6-(4-fluorophenyl)-3-propyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

D137-0478 Screening compound: N-(2-fluorophenyl)-6-(4-fluorophenyl)-3-propyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
D137-0478 Screening compound: N-(2-fluorophenyl)-6-(4-fluorophenyl)-3-propyl-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 D137-0478
N-(2-fluorophenyl)-6-(4-fluorophenyl)-3-propyl-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

D137-0478

Molecular Formula

C20H19F2N5OS (C20 H19 F2 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCCc(n1NC2c(cc3)ccc3F)nnc1SC2C(Nc(cccc1)c1F)=O

InChI

InChI=1S/C20H19F2N5OS/c1-2-5-16-24-25-20-27(16)26-17(12-8-10-13(21)11-9-12)18(29-20)19(28)23-15-7-4-3-6-14(15)22/h3-4,6-11,17-18,26H,2,5H2,1H3,(H,23,28)

InChI Key

XOHBFKLCBLPJAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08098790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.886

Distribution Coefficient, logD

3.885

Water Solubility, LogSw

-3.82

Polar Surface Area

60.333

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

D137-0478 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 D137-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D137-0478?
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What is the minimum amount of D137-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D137-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D137-0478
  • 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 D137-0478 available by request