C614-0766 Screening compound: 1-benzyl-3-[1-(4-tert-butylbenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indole

C614-0766 Screening compound: 1-benzyl-3-[1-(4-tert-butylbenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indole
C614-0766 Screening compound: 1-benzyl-3-[1-(4-tert-butylbenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0766
1-benzyl-3-[1-(4-tert-butylbenzenesulfonyl)-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

C614-0766

Molecular Formula

C31H34N2O2S (C31 H34 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1S(N(CC1)CC=C1c1c(C)n(Cc2ccccc2)c2c1cccc2)(=O)=O

InChI

InChI=1S/C31H34N2O2S/c1-23-30(28-12-8-9-13-29(28)33(23)22-24-10-6-5-7-11-24)25-18-20-32(21-19-25)36(34,35)27-16-14-26(15-17-27)31(2,3)4/h5-18H,19-22H2,1-4H3

InChI Key

BEYAEVHEBOXLPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.786

Distribution Coefficient, logD

7.786

Water Solubility, LogSw

-6.12

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

29.00

C614-0766 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 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 C614-0766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0766?
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What is the minimum amount of C614-0766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0766
  • 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 C614-0766 available by request