F588-0081 Screening compound: 1-[(4-chlorophenyl)methyl]-3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indole

F588-0081 Screening compound: 1-[(4-chlorophenyl)methyl]-3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indole
F588-0081 Screening compound: 1-[(4-chlorophenyl)methyl]-3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound F588-0081
1-[(4-chlorophenyl)methyl]-3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-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

F588-0081

Molecular Formula

C29H27ClN2O4S (C29 H27 ClN2 O4 S)

Compound Name

1-[(4-chlorophenyl)methyl]-3-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indole

IUPAC name

1-[(4-chlorophenyl)methyl]-3-[1-(23-dihydro-14-benzodioxine-6-sulfonyl)-1236-tetrahydropyridin-4-yl]-2-methyl-1H-indole

SMILES

Cc(n(Cc(cc1)ccc1Cl)c1c2cccc1)c2C(CC1)=CCN1S(c(cc1)cc2c1OCCO2)(=O)=O

InChI

InChI=1S/C29H27ClN2O4S/c1-20-29(25-4-2-3-5-26(25)32(20)19-21-6-8-23(30)9-7-21)22-12-14-31(15-13-22)37(33,34)24-10-11-27-28(18-24)36-17-16-35-27/h2-12,18H,13-17,19H2,1H3

InChI Key

AMIXQVOVUNSJSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27177563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.06

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.630

Distribution Coefficient, logD

5.630

Water Solubility, LogSw

-6.18

Polar Surface Area

48.702

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

F588-0081 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F588-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F588-0081?
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What is the minimum amount of F588-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F588-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F588-0081
  • 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 F588-0081 available by request