V003-2428 Screening compound: 3-[(2,4-dichlorophenoxy)methyl]-5-(2-methoxybenzoyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

V003-2428 Screening compound: 3-[(2,4-dichlorophenoxy)methyl]-5-(2-methoxybenzoyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
V003-2428 Screening compound: 3-[(2,4-dichlorophenoxy)methyl]-5-(2-methoxybenzoyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2428
3-[(2,4-dichlorophenoxy)methyl]-5-(2-methoxybenzoyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

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

V003-2428

Molecular Formula

C19H16Cl2N4O3S (C19 H16 Cl2 N4 O3 S)

Compound Name

3-[(2,4-dichlorophenoxy)methyl]-5-(2-methoxybenzoyl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

IUPAC name

3-[(24-dichlorophenoxy)methyl]-5-(2-methoxybenzoyl)-5H6H7H-[124]triazolo[34-b][134]thiadiazine

SMILES

COc(cccc1)c1C(N(CCS1)n2c1nnc2COc(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C19H16Cl2N4O3S/c1-27-15-5-3-2-4-13(15)18(26)24-8-9-29-19-23-22-17(25(19)24)11-28-16-7-6-12(20)10-14(16)21/h2-7,10H,8-9,11H2,1H3

InChI Key

CGPQLNCYRWYORG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14282450

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

451.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.981

Distribution Coefficient, logD

2.981

Water Solubility, LogSw

-3.47

Polar Surface Area

56.182

Acid Dissociation Constant (pKa)

22.52

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

V003-2428 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V003-2428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2428?
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What is the minimum amount of V003-2428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2428
  • 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 V003-2428 available by request