8019-5144 Screening compound: ethyl 2-[3-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetate

8019-5144 Screening compound: ethyl 2-[3-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetate
8019-5144 Screening compound: ethyl 2-[3-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5144
ethyl 2-[3-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetate

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

8019-5144

Molecular Formula

C15H16N4O3S (C15 H16 N4 O3 S)

Compound Name

ethyl 2-[3-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]acetate

IUPAC name

ethyl 2-[3-(4-methoxyphenyl)-7H-[124]triazolo[34-b][134]thiadiazin-6-yl]acetate

SMILES

CCOC(CC(CS1)=Nn2c1nnc2-c(cc1)ccc1OC)=O

InChI

InChI=1S/C15H16N4O3S/c1-3-22-13(20)8-11-9-23-15-17-16-14(19(15)18-11)10-4-6-12(21-2)7-5-10/h4-7H,3,8-9H2,1-2H3

InChI Key

ZPCYUTHCBFOTRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04610458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

2.534

Water Solubility, LogSw

-2.53

Polar Surface Area

61.836

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8019-5144 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 8019-5144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5144?
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What is the minimum amount of 8019-5144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5144
  • 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 8019-5144 available by request