F588-0126 Screening compound: 1-[(4-chlorophenyl)methyl]-2-methyl-3-{1-[4-(2-methylpropyl)benzenesulfonyl]-1,2,3,6-tetrahydropyridin-4-yl}-1H-indole

F588-0126 Screening compound: 1-[(4-chlorophenyl)methyl]-2-methyl-3-{1-[4-(2-methylpropyl)benzenesulfonyl]-1,2,3,6-tetrahydropyridin-4-yl}-1H-indole
F588-0126 Screening compound: 1-[(4-chlorophenyl)methyl]-2-methyl-3-{1-[4-(2-methylpropyl)benzenesulfonyl]-1,2,3,6-tetrahydropyridin-4-yl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound F588-0126
1-[(4-chlorophenyl)methyl]-2-methyl-3-{1-[4-(2-methylpropyl)benzenesulfonyl]-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

F588-0126

Molecular Formula

C31H33ClN2O2S (C31 H33 ClN2 O2 S)

Compound Name

1-[(4-chlorophenyl)methyl]-2-methyl-3-{1-[4-(2-methylpropyl)benzenesulfonyl]-1,2,3,6-tetrahydropyridin-4-yl}-1H-indole

IUPAC name

1-[(4-chlorophenyl)methyl]-2-methyl-3-{1-[4-(2-methylpropyl)benzenesulfonyl]-1236-tetrahydropyridin-4-yl}-1H-indole

SMILES

CC(C)Cc(cc1)ccc1S(N(CC1)CC=C1c1c(C)n(Cc(cc2)ccc2Cl)c2c1cccc2)(=O)=O

InChI

InChI=1S/C31H33ClN2O2S/c1-22(2)20-24-10-14-28(15-11-24)37(35,36)33-18-16-26(17-19-33)31-23(3)34(30-7-5-4-6-29(30)31)21-25-8-12-27(32)13-9-25/h4-16,22H,17-21H2,1-3H3

InChI Key

GMHLZOMRFZJAHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27177578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.13

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.267

Distribution Coefficient, logD

8.267

Water Solubility, LogSw

-6.92

Polar Surface Area

32.878

Acid Dissociation Constant (pKa)

24.74

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

F588-0126 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F588-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F588-0126?
Check Price and Availability of F588-0126, 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 F588-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F588-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F588-0126
  • 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 F588-0126 available by request