F589-0322 Screening compound: 1-(3-fluorobenzyl)-2-methyl-3-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}-1H-indole

F589-0322 Screening compound: 1-(3-fluorobenzyl)-2-methyl-3-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}-1H-indole
F589-0322 Screening compound: 1-(3-fluorobenzyl)-2-methyl-3-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound F589-0322
1-(3-fluorobenzyl)-2-methyl-3-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}-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

F589-0322

Molecular Formula

C25H27FN4O2S (C25 H27 FN4 O2 S)

Compound Name

1-(3-fluorobenzyl)-2-methyl-3-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-piperidyl}-1H-indole

IUPAC name

1-[(3-fluorophenyl)methyl]-2-methyl-3-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}-1H-indole

SMILES

Cc1c(C(CC2)CCN2S(c2cn(C)cn2)(=O)=O)c(cccc2)c2n1Cc1cc(F)ccc1

InChI

InChI=1S/C25H27FN4O2S/c1-18-25(20-10-12-29(13-11-20)33(31,32)24-16-28(2)17-27-24)22-8-3-4-9-23(22)30(18)15-19-6-5-7-21(26)14-19/h3-9,14,16-17,20H,10-13,15H2,1-2H3

InChI Key

ZKOAJVMBJYBISG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27177807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.152

Distribution Coefficient, logD

4.152

Water Solubility, LogSw

-4.17

Polar Surface Area

45.290

Acid Dissociation Constant (pKa)

24.58

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

F589-0322 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F589-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F589-0322?
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What is the minimum amount of F589-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F589-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F589-0322
  • 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 F589-0322 available by request