F588-0628 Screening compound: 3-[(4-{1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]benzonitrile

F588-0628 Screening compound: 3-[(4-{1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]benzonitrile
F588-0628 Screening compound: 3-[(4-{1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound F588-0628
3-[(4-{1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]benzonitrile

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

F588-0628

Molecular Formula

C28H23ClFN3O2S (C28 H23 ClFN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(n(Cc(c(F)ccc1)c1Cl)c1c2cccc1)c2C(CC1)=CCN1S(c1cc(C#N)ccc1)(=O)=O

InChI

InChI=1S/C28H23ClFN3O2S/c1-19-28(21-12-14-32(15-13-21)36(34,35)22-7-4-6-20(16-22)17-31)23-8-2-3-11-27(23)33(19)18-24-25(29)9-5-10-26(24)30/h2-12,16H,13-15,18H2,1H3

InChI Key

HJZGXOKCHGPRKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27177791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.246

Distribution Coefficient, logD

6.246

Water Solubility, LogSw

-6.31

Polar Surface Area

49.935

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

F588-0628 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F588-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F588-0628?
Check Price and Availability of F588-0628, 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 F588-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F588-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F588-0628
  • 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 F588-0628 available by request