C796-1242 Screening compound: 2-({1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

C796-1242 Screening compound: 2-({1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one
C796-1242 Screening compound: 2-({1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-1242
2-({1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-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

C796-1242

Molecular Formula

C26H24F2N4OS (C26 H24 F2 N4 OS)

Compound Name

2-({1-[(3-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-({1-[(3-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

SMILES

O=C(CSc1nc(cccc2)c2n1Cc1cc(F)ccc1)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C26H24F2N4OS/c27-20-8-10-22(11-9-20)30-12-14-31(15-13-30)25(33)18-34-26-29-23-6-1-2-7-24(23)32(26)17-19-4-3-5-21(28)16-19/h1-11,16H,12-15,17-18H2

InChI Key

BJVULSXSCCLMAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.366

Distribution Coefficient, logD

5.355

Water Solubility, LogSw

-5.72

Polar Surface Area

30.130

Acid Dissociation Constant (pKa)

20.46

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C796-1242 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

Immunological Library (6760 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C796-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-1242?
Check Price and Availability of C796-1242, 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 C796-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-1242
  • 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 C796-1242 available by request