F589-0077 Screening compound: 3-[(4-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}piperidin-1-yl)sulfonyl]benzonitrile

F589-0077 Screening compound: 3-[(4-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}piperidin-1-yl)sulfonyl]benzonitrile
F589-0077 Screening compound: 3-[(4-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}piperidin-1-yl)sulfonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound F589-0077
3-[(4-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}piperidin-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

F589-0077

Molecular Formula

C28H26FN3O2S (C28 H26 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(CC2)CCN2S(c2cc(C#N)ccc2)(=O)=O)c(cccc2)c2n1Cc(cc1)ccc1F

InChI

InChI=1S/C28H26FN3O2S/c1-20-28(26-7-2-3-8-27(26)32(20)19-21-9-11-24(29)12-10-21)23-13-15-31(16-14-23)35(33,34)25-6-4-5-22(17-25)18-30/h2-12,17,23H,13-16,19H2,1H3

InChI Key

GIYKEHQYDRMAFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14960182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

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

5.584

Distribution Coefficient, logD

5.584

Water Solubility, LogSw

-5.87

Polar Surface Area

49.935

Acid Dissociation Constant (pKa)

24.58

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with F589-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F589-0077?
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What is the minimum amount of F589-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F589-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F589-0077
  • 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 F589-0077 available by request