V028-3479 Screening compound: 3-[(4-fluorophenoxy)methyl]-5-[(3-fluorophenyl)sulfonyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

V028-3479 Screening compound: 3-[(4-fluorophenoxy)methyl]-5-[(3-fluorophenyl)sulfonyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
V028-3479 Screening compound: 3-[(4-fluorophenoxy)methyl]-5-[(3-fluorophenyl)sulfonyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-3479
3-[(4-fluorophenoxy)methyl]-5-[(3-fluorophenyl)sulfonyl]-6,7-dihydro-5H-[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

V028-3479

Molecular Formula

C17H14F2N4O3S2 (C17 H14 F2 N4 O3 S2)

Compound Name

3-[(4-fluorophenoxy)methyl]-5-[(3-fluorophenyl)sulfonyl]-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

IUPAC name

5-(3-fluorobenzenesulfonyl)-3-[(4-fluorophenoxy)methyl]-5H6H7H-[124]triazolo[34-b][134]thiadiazine

SMILES

O=S(c1cc(F)ccc1)(N(CCS1)n2c1nnc2COc(cc1)ccc1F)=O

InChI

InChI=1S/C17H14F2N4O3S2/c18-12-4-6-14(7-5-12)26-11-16-20-21-17-23(16)22(8-9-27-17)28(24,25)15-3-1-2-13(19)10-15/h1-7,10H,8-9,11H2

InChI Key

OFHNYUVJXOGXLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14282587

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

424.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

2.522

Water Solubility, LogSw

-2.77

Polar Surface Area

61.640

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

V028-3479 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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:
  • Immune system
  • 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 V028-3479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-3479?
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What is the minimum amount of V028-3479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-3479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-3479
  • 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 V028-3479 available by request