V029-7595 Screening compound: 5-[(3,4-difluorophenyl)methyl]-3-[(2-fluorophenoxy)methyl]-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one

V029-7595 Screening compound: 5-[(3,4-difluorophenyl)methyl]-3-[(2-fluorophenoxy)methyl]-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one
V029-7595 Screening compound: 5-[(3,4-difluorophenyl)methyl]-3-[(2-fluorophenoxy)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 V029-7595
5-[(3,4-difluorophenyl)methyl]-3-[(2-fluorophenoxy)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

V029-7595

Molecular Formula

C18H13F3N4O2S (C18 H13 F3 N4 O2 S)

Compound Name

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

IUPAC name

5-[(34-difluorophenyl)methyl]-3-[(2-fluorophenoxy)methyl]-5H6H7H-[124]triazolo[34-b][134]thiadiazin-6-one

SMILES

O=C(CS1)N(Cc(cc2)cc(F)c2F)n2c1nnc2COc(cccc1)c1F

InChI

InChI=1S/C18H13F3N4O2S/c19-12-6-5-11(7-14(12)21)8-24-17(26)10-28-18-23-22-16(25(18)24)9-27-15-4-2-1-3-13(15)20/h1-7H,8-10H2

InChI Key

MBJHBQQCIOMKHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19937343

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

406.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.767

Distribution Coefficient, logD

2.767

Water Solubility, LogSw

-2.99

Polar Surface Area

46.748

Acid Dissociation Constant (pKa)

14.78

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V029-7595 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V029-7595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-7595?
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What is the minimum amount of V029-7595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-7595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-7595
  • 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 V029-7595 available by request