4327-3074 Screening compound: 3-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]propanoic acid

4327-3074 Screening compound: 3-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]propanoic acid
4327-3074 Screening compound: 3-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4327-3074
3-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]propanoic acid

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

4327-3074

Molecular Formula

C17H16N2O2S (C17 H16 N2 O2 S)

Compound Name

3-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]propanoic acid

IUPAC name

3-[(1-benzyl-1H-13-benzodiazol-2-yl)sulfanyl]propanoic acid

SMILES

OC(CCSc1nc(cccc2)c2n1Cc1ccccc1)=O

InChI

InChI=1S/C17H16N2O2S/c20-16(21)10-11-22-17-18-14-8-4-5-9-15(14)19(17)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,21)

InChI Key

UDUOYLNQWQXCTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01072842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.526

Distribution Coefficient, logD

0.831

Water Solubility, LogSw

-3.55

Polar Surface Area

39.133

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4327-3074 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

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

CORONAVIRUS Library (20774 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4327-3074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4327-3074?
Check Price and Availability of 4327-3074, 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 4327-3074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4327-3074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4327-3074
  • 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 4327-3074 available by request