F589-0597 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-3-[1-(4-ethylbenzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole

F589-0597 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-3-[1-(4-ethylbenzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole
F589-0597 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-3-[1-(4-ethylbenzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound F589-0597
1-[(2-chloro-6-fluorophenyl)methyl]-3-[1-(4-ethylbenzenesulfonyl)piperidin-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

F589-0597

Molecular Formula

C29H30ClFN2O2S (C29 H30 ClFN2 O2 S)

Compound Name

1-[(2-chloro-6-fluorophenyl)methyl]-3-[1-(4-ethylbenzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole

IUPAC name

1-[(2-chloro-6-fluorophenyl)methyl]-3-[1-(4-ethylbenzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole

SMILES

CCc(cc1)ccc1S(N(CC1)CCC1c1c(C)n(Cc(c(F)ccc2)c2Cl)c2c1cccc2)(=O)=O

InChI

InChI=1S/C29H30ClFN2O2S/c1-3-21-11-13-23(14-12-21)36(34,35)32-17-15-22(16-18-32)29-20(2)33(28-10-5-4-7-24(28)29)19-25-26(30)8-6-9-27(25)31/h4-14,22H,3,15-19H2,1-2H3

InChI Key

BZOBDXJLIHYTRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14960386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.09

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.458

Distribution Coefficient, logD

7.458

Water Solubility, LogSw

-6.63

Polar Surface Area

32.878

Acid Dissociation Constant (pKa)

24.58

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

References: we are preparing a list of scientific research reports with F589-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F589-0597?
Check Price and Availability of F589-0597, 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 F589-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F589-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F589-0597
  • 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 F589-0597 available by request