F589-0475 Screening compound: 8-[(4-{1-[(3-methoxyphenyl)methyl]-2-methyl-1H-indol-3-yl}piperidin-1-yl)sulfonyl]quinoline

F589-0475 Screening compound: 8-[(4-{1-[(3-methoxyphenyl)methyl]-2-methyl-1H-indol-3-yl}piperidin-1-yl)sulfonyl]quinoline
F589-0475 Screening compound: 8-[(4-{1-[(3-methoxyphenyl)methyl]-2-methyl-1H-indol-3-yl}piperidin-1-yl)sulfonyl]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound F589-0475
8-[(4-{1-[(3-methoxyphenyl)methyl]-2-methyl-1H-indol-3-yl}piperidin-1-yl)sulfonyl]quinoline

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

F589-0475

Molecular Formula

C31H31N3O3S (C31 H31 N3 O3 S)

Compound Name

8-[(4-{1-[(3-methoxyphenyl)methyl]-2-methyl-1H-indol-3-yl}piperidin-1-yl)sulfonyl]quinoline

IUPAC name

8-[(4-{1-[(3-methoxyphenyl)methyl]-2-methyl-1H-indol-3-yl}piperidin-1-yl)sulfonyl]quinoline

SMILES

Cc1c(C(CC2)CCN2S(c2cccc3cccnc23)(=O)=O)c(cccc2)c2n1Cc1cc(OC)ccc1

InChI

InChI=1S/C31H31N3O3S/c1-22-30(27-12-3-4-13-28(27)34(22)21-23-8-5-11-26(20-23)37-2)24-15-18-33(19-16-24)38(35,36)29-14-6-9-25-10-7-17-32-31(25)29/h3-14,17,20,24H,15-16,18-19,21H2,1-2H3

InChI Key

SIEZWKGVWKIUMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14960348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.694

Distribution Coefficient, logD

5.694

Water Solubility, LogSw

-6.31

Polar Surface Area

49.955

Acid Dissociation Constant (pKa)

24.58

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

F589-0475 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 F589-0475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F589-0475?
Check Price and Availability of F589-0475, 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 F589-0475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F589-0475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F589-0475
  • 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 F589-0475 available by request