C614-0757 Screening compound: 3-[1-(4-tert-butylbenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1,2-dimethyl-1H-indole

C614-0757 Screening compound: 3-[1-(4-tert-butylbenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1,2-dimethyl-1H-indole
C614-0757 Screening compound: 3-[1-(4-tert-butylbenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1,2-dimethyl-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0757
3-[1-(4-tert-butylbenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1,2-dimethyl-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

C614-0757

Molecular Formula

C25H30N2O2S (C25 H30 N2 O2 S)

Compound Name

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

IUPAC name

3-[1-(4-tert-butylbenzenesulfonyl)-1236-tetrahydropyridin-4-yl]-12-dimethyl-1H-indole

SMILES

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

InChI

InChI=1S/C25H30N2O2S/c1-18-24(22-8-6-7-9-23(22)26(18)5)19-14-16-27(17-15-19)30(28,29)21-12-10-20(11-13-21)25(2,3)4/h6-14H,15-17H2,1-5H3

InChI Key

TYBDYDKBZBFKFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.59

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

5.905

Distribution Coefficient, logD

5.905

Water Solubility, LogSw

-5.89

Polar Surface Area

33.960

Acid Dissociation Constant (pKa)

27.75

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C614-0757 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C614-0757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0757?
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What is the minimum amount of C614-0757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0757
  • 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 C614-0757 available by request