8009-2439 Screening compound: 3-{2-[2-(4-methylbenzenesulfonyl)ethyl]-1H-1,3-benzodiazol-1-yl}propanenitrile

8009-2439 Screening compound: 3-{2-[2-(4-methylbenzenesulfonyl)ethyl]-1H-1,3-benzodiazol-1-yl}propanenitrile
8009-2439 Screening compound: 3-{2-[2-(4-methylbenzenesulfonyl)ethyl]-1H-1,3-benzodiazol-1-yl}propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2439
3-{2-[2-(4-methylbenzenesulfonyl)ethyl]-1H-1,3-benzodiazol-1-yl}propanenitrile

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

8009-2439

Molecular Formula

C19H19N3O2S (C19 H19 N3 O2 S)

Compound Name

3-{2-[2-(4-methylbenzenesulfonyl)ethyl]-1H-1,3-benzodiazol-1-yl}propanenitrile

IUPAC name

3-{2-[2-(4-methylbenzenesulfonyl)ethyl]-1H-13-benzodiazol-1-yl}propanenitrile

SMILES

Cc(cc1)ccc1S(CCc1nc(cccc2)c2n1CCC#N)(=O)=O

InChI

InChI=1S/C19H19N3O2S/c1-15-7-9-16(10-8-15)25(23,24)14-11-19-21-17-5-2-3-6-18(17)22(19)13-4-12-20/h2-3,5-10H,4,11,13-14H2,1H3

InChI Key

LBWBFOYVXRZDJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.904

Distribution Coefficient, logD

2.902

Water Solubility, LogSw

-3.22

Polar Surface Area

57.650

Acid Dissociation Constant (pKa)

20.53

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

8009-2439 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8009-2439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2439?
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What is the minimum amount of 8009-2439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2439
  • 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 8009-2439 available by request