V008-4196 Screening compound: ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-[({4-[(1E)-2-phenylethenyl]phenyl}methyl)sulfanyl]-1H-1,3-benzodiazole-5-carboxylate

V008-4196 Screening compound: ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-[({4-[(1E)-2-phenylethenyl]phenyl}methyl)sulfanyl]-1H-1,3-benzodiazole-5-carboxylate
V008-4196 Screening compound: ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-[({4-[(1E)-2-phenylethenyl]phenyl}methyl)sulfanyl]-1H-1,3-benzodiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4196
ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-[({4-[(1E)-2-phenylethenyl]phenyl}methyl)sulfanyl]-1H-1,3-benzodiazole-5-carboxylate

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

V008-4196

Molecular Formula

C34H32N2O3S (C34 H32 N2 O3 S)

Compound Name

ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-[({4-[(1E)-2-phenylethenyl]phenyl}methyl)sulfanyl]-1H-1,3-benzodiazole-5-carboxylate

IUPAC name

ethyl 1-[2-(4-methoxyphenyl)ethyl]-2-[({4-[(1E)-2-phenylethenyl]phenyl}methyl)sulfanyl]-1H-13-benzodiazole-5-carboxylate

SMILES

CCOC(c(cc1)cc2c1n(CCc(cc1)ccc1OC)c(SCc1ccc(/C=C/c3ccccc3)cc1)n2)=O

InChI

InChI=1S/C34H32N2O3S/c1-3-39-33(37)29-17-20-32-31(23-29)35-34(36(32)22-21-27-15-18-30(38-2)19-16-27)40-24-28-13-11-26(12-14-28)10-9-25-7-5-4-6-8-25/h4-20,23H,3,21-22,24H2,1-2H3

InChI Key

LIHKVIMGWNGDHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19964414

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

548.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.491

Distribution Coefficient, logD

8.490

Water Solubility, LogSw

-5.75

Polar Surface Area

38.482

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

V008-4196 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 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:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with V008-4196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4196?
Check Price and Availability of V008-4196, 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 V008-4196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4196
  • 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 V008-4196 available by request