C614-0727 Screening compound: 3-[1-(4-chlorobenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1-ethyl-2-methyl-1H-indole

C614-0727 Screening compound: 3-[1-(4-chlorobenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1-ethyl-2-methyl-1H-indole
C614-0727 Screening compound: 3-[1-(4-chlorobenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1-ethyl-2-methyl-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0727
3-[1-(4-chlorobenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1-ethyl-2-methyl-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

C614-0727

Molecular Formula

C22H23ClN2O2S (C22 H23 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(cccc2)c2c(C(CC2)=CCN2S(c(cc2)ccc2Cl)(=O)=O)c1C

InChI

InChI=1S/C22H23ClN2O2S/c1-3-25-16(2)22(20-6-4-5-7-21(20)25)17-12-14-24(15-13-17)28(26,27)19-10-8-18(23)9-11-19/h4-12H,3,13-15H2,1-2H3

InChI Key

DWYVWXPONWDNRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.96

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

5.422

Distribution Coefficient, logD

5.422

Water Solubility, LogSw

-6.18

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

27.30

C614-0727 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C614-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0727?
Check Price and Availability of C614-0727, 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 C614-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0727
  • 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 C614-0727 available by request