V003-8128 Screening compound: 3-{[(3,4-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole

V003-8128 Screening compound: 3-{[(3,4-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole
V003-8128 Screening compound: 3-{[(3,4-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-8128
3-{[(3,4-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole

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

V003-8128

Molecular Formula

C24H21F2N3O3S (C24 H21 F2 N3 O3 S)

Compound Name

3-{[(3,4-difluorophenyl)methyl]sulfanyl}-5-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazole

IUPAC name

3-{[(34-difluorophenyl)methyl]sulfanyl}-5-(35-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-124-triazole

SMILES

COc(cc1)ccc1-n1c(SCc(cc2)cc(F)c2F)nnc1-c1cc(OC)cc(OC)c1

InChI

InChI=1S/C24H21F2N3O3S/c1-30-18-7-5-17(6-8-18)29-23(16-11-19(31-2)13-20(12-16)32-3)27-28-24(29)33-14-15-4-9-21(25)22(26)10-15/h4-13H,14H2,1-3H3

InChI Key

XKBHSNIQUQEJMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844724

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

469.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.565

Distribution Coefficient, logD

5.565

Water Solubility, LogSw

-5.52

Polar Surface Area

47.344

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V003-8128 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

KRAS-Targeted Library (16000 compounds)

Antibacterial Compounds Library (13827 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with V003-8128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-8128?
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What is the minimum amount of V003-8128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-8128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-8128
  • 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 V003-8128 available by request