F588-0032 Screening compound: 4-[(4-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

F588-0032 Screening compound: 4-[(4-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]-2,1,3-benzothiadiazole
F588-0032 Screening compound: 4-[(4-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound F588-0032
4-[(4-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

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

F588-0032

Molecular Formula

C27H23FN4O2S2 (C27 H23 FN4 O2 S2)

Compound Name

4-[(4-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

IUPAC name

4-[(4-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1236-tetrahydropyridin-1-yl)sulfonyl]-213-benzothiadiazole

SMILES

Cc(n(Cc(cc1)ccc1F)c1c2cccc1)c2C(CC1)=CCN1S(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C27H23FN4O2S2/c1-18-26(22-5-2-3-7-24(22)32(18)17-19-9-11-21(28)12-10-19)20-13-15-31(16-14-20)36(33,34)25-8-4-6-23-27(25)30-35-29-23/h2-13H,14-17H2,1H3

InChI Key

LSTXFBSZEKVDPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14960117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.64

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

5.940

Distribution Coefficient, logD

5.940

Water Solubility, LogSw

-5.94

Polar Surface Area

53.831

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

F588-0032 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 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

References: we are preparing a list of scientific research reports with F588-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F588-0032?
Check Price and Availability of F588-0032, 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 F588-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F588-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F588-0032
  • 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 F588-0032 available by request