F588-0624 Screening compound: 1-{4-[(4-{1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]phenyl}ethan-1-one

F588-0624 Screening compound: 1-{4-[(4-{1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]phenyl}ethan-1-one
F588-0624 Screening compound: 1-{4-[(4-{1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]phenyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F588-0624
1-{4-[(4-{1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]phenyl}ethan-1-one

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

F588-0624

Molecular Formula

C29H26ClFN2O3S (C29 H26 ClFN2 O3 S)

Compound Name

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

IUPAC name

1-{4-[(4-{1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1236-tetrahydropyridin-1-yl)sulfonyl]phenyl}ethan-1-one

SMILES

CC(c(cc1)ccc1S(N(CC1)CC=C1c1c(C)n(Cc(c(F)ccc2)c2Cl)c2c1cccc2)(=O)=O)=O

InChI

InChI=1S/C29H26ClFN2O3S/c1-19-29(24-6-3-4-9-28(24)33(19)18-25-26(30)7-5-8-27(25)31)22-14-16-32(17-15-22)37(35,36)23-12-10-21(11-13-23)20(2)34/h3-14H,15-18H2,1-2H3

InChI Key

JGMPYGNOOQHNNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27643650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.05

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.147

Distribution Coefficient, logD

6.147

Water Solubility, LogSw

-6.14

Polar Surface Area

46.705

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

F588-0624 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F588-0624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F588-0624?
Check Price and Availability of F588-0624, 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 F588-0624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F588-0624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F588-0624
  • 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 F588-0624 available by request