V006-4505 Screening compound: 3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-5-[(3,5-difluorophenyl)methyl]-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one

V006-4505 Screening compound: 3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-5-[(3,5-difluorophenyl)methyl]-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one
V006-4505 Screening compound: 3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-5-[(3,5-difluorophenyl)methyl]-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-4505
3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-5-[(3,5-difluorophenyl)methyl]-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one

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

V006-4505

Molecular Formula

C19H14F2N4O4S (C19 H14 F2 N4 O4 S)

Compound Name

3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-5-[(3,5-difluorophenyl)methyl]-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one

IUPAC name

3-[(2H-13-benzodioxol-5-yloxy)methyl]-5-[(35-difluorophenyl)methyl]-5H6H7H-[124]triazolo[34-b][134]thiadiazin-6-one

SMILES

O=C(CS1)N(Cc2cc(F)cc(F)c2)n2c1nnc2COc(cc1)cc2c1OCO2

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

432.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.612

Distribution Coefficient, logD

2.612

Water Solubility, LogSw

-2.94

Polar Surface Area

63.777

Acid Dissociation Constant (pKa)

14.78

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

V006-4505 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V006-4505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-4505?
Check Price and Availability of V006-4505, 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 V006-4505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-4505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-4505
  • 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 V006-4505 available by request