C614-0736 Screening compound: 1-benzyl-3-[1-(4-fluorobenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indole

C614-0736 Screening compound: 1-benzyl-3-[1-(4-fluorobenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indole
C614-0736 Screening compound: 1-benzyl-3-[1-(4-fluorobenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0736
1-benzyl-3-[1-(4-fluorobenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-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

C614-0736

Molecular Formula

C27H25FN2O2S (C27 H25 FN2 O2 S)

Compound Name

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

IUPAC name

1-benzyl-3-[1-(4-fluorobenzenesulfonyl)-1236-tetrahydropyridin-4-yl]-2-methyl-1H-indole

SMILES

Cc(n(Cc1ccccc1)c1c2cccc1)c2C(CC1)=CCN1S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C27H25FN2O2S/c1-20-27(25-9-5-6-10-26(25)30(20)19-21-7-3-2-4-8-21)22-15-17-29(18-16-22)33(31,32)24-13-11-23(28)12-14-24/h2-15H,16-19H2,1H3

InChI Key

INQLVOJNHQSQOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.021

Distribution Coefficient, logD

6.021

Water Solubility, LogSw

-5.89

Polar Surface Area

32.878

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C614-0736 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C614-0736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0736?
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What is the minimum amount of C614-0736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0736
  • 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 C614-0736 available by request