V017-8992 Screening compound: 5-(3-methoxybenzoyl)-3-[(3-methoxyphenoxy)methyl]-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

V017-8992 Screening compound: 5-(3-methoxybenzoyl)-3-[(3-methoxyphenoxy)methyl]-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
V017-8992 Screening compound: 5-(3-methoxybenzoyl)-3-[(3-methoxyphenoxy)methyl]-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-8992
5-(3-methoxybenzoyl)-3-[(3-methoxyphenoxy)methyl]-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

V017-8992

Molecular Formula

C20H20N4O4S (C20 H20 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(N(CCS2)n3c2nnc3COc2cc(OC)ccc2)=O)c1

InChI

InChI=1S/C20H20N4O4S/c1-26-15-6-3-5-14(11-15)19(25)23-9-10-29-20-22-21-18(24(20)23)13-28-17-8-4-7-16(12-17)27-2/h3-8,11-12H,9-10,13H2,1-2H3

InChI Key

LQHOJDHDNTZUAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14282475

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.359

Distribution Coefficient, logD

2.359

Water Solubility, LogSw

-2.64

Polar Surface Area

63.553

Acid Dissociation Constant (pKa)

22.52

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V017-8992 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V017-8992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-8992?
Check Price and Availability of V017-8992, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V017-8992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-8992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-8992
  • 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 V017-8992 available by request