D137-0372 Screening compound: 3-ethyl-6-(4-fluorophenyl)-N-(4-methoxyphenyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

D137-0372 Screening compound: 3-ethyl-6-(4-fluorophenyl)-N-(4-methoxyphenyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
D137-0372 Screening compound: 3-ethyl-6-(4-fluorophenyl)-N-(4-methoxyphenyl)-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 D137-0372
3-ethyl-6-(4-fluorophenyl)-N-(4-methoxyphenyl)-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

D137-0372

Molecular Formula

C20H20FN5O2S (C20 H20 FN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(n1NC2c(cc3)ccc3F)nnc1SC2C(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C20H20FN5O2S/c1-3-16-23-24-20-26(16)25-17(12-4-6-13(21)7-5-12)18(29-20)19(27)22-14-8-10-15(28-2)11-9-14/h4-11,17-18,25H,3H2,1-2H3,(H,22,27)

InChI Key

QJBYIZVYJKBILX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08107078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.243

Distribution Coefficient, logD

3.243

Water Solubility, LogSw

-3.54

Polar Surface Area

68.575

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

D137-0372 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 D137-0372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D137-0372?
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What is the minimum amount of D137-0372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D137-0372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D137-0372
  • 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 D137-0372 available by request