C614-0709 Screening compound: 1-ethyl-2-methyl-3-[1-(4-methylbenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indole

C614-0709 Screening compound: 1-ethyl-2-methyl-3-[1-(4-methylbenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indole
C614-0709 Screening compound: 1-ethyl-2-methyl-3-[1-(4-methylbenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0709
1-ethyl-2-methyl-3-[1-(4-methylbenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indole

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

C614-0709

Molecular Formula

C23H26N2O2S (C23 H26 N2 O2 S)

Compound Name

1-ethyl-2-methyl-3-[1-(4-methylbenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indole

IUPAC name

1-ethyl-2-methyl-3-[1-(4-methylbenzenesulfonyl)-1236-tetrahydropyridin-4-yl]-1H-indole

SMILES

CCn1c(cccc2)c2c(C(CC2)=CCN2S(c2ccc(C)cc2)(=O)=O)c1C

InChI

InChI=1S/C23H26N2O2S/c1-4-25-18(3)23(21-7-5-6-8-22(21)25)19-13-15-24(16-14-19)28(26,27)20-11-9-17(2)10-12-20/h5-13H,4,14-16H2,1-3H3

InChI Key

JUXSRXVPINDANM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.251

Distribution Coefficient, logD

5.251

Water Solubility, LogSw

-5.47

Polar Surface Area

32.875

Acid Dissociation Constant (pKa)

27.75

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C614-0709 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C614-0709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0709?
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What is the minimum amount of C614-0709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0709
  • 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 C614-0709 available by request