F588-0486 Screening compound: 1-[(3-methoxyphenyl)methyl]-2-methyl-3-(1-phenylmethanesulfonyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

F588-0486 Screening compound: 1-[(3-methoxyphenyl)methyl]-2-methyl-3-(1-phenylmethanesulfonyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
F588-0486 Screening compound: 1-[(3-methoxyphenyl)methyl]-2-methyl-3-(1-phenylmethanesulfonyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound F588-0486
1-[(3-methoxyphenyl)methyl]-2-methyl-3-(1-phenylmethanesulfonyl-1,2,3,6-tetrahydropyridin-4-yl)-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

F588-0486

Molecular Formula

C29H30N2O3S (C29 H30 N2 O3 S)

Compound Name

1-[(3-methoxyphenyl)methyl]-2-methyl-3-(1-phenylmethanesulfonyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

IUPAC name

1-[(3-methoxyphenyl)methyl]-2-methyl-3-(1-phenylmethanesulfonyl-1236-tetrahydropyridin-4-yl)-1H-indole

SMILES

Cc(n(Cc1cc(OC)ccc1)c1c2cccc1)c2C(CC1)=CCN1S(Cc1ccccc1)(=O)=O

InChI

InChI=1S/C29H30N2O3S/c1-22-29(25-15-17-30(18-16-25)35(32,33)21-23-9-4-3-5-10-23)27-13-6-7-14-28(27)31(22)20-24-11-8-12-26(19-24)34-2/h3-15,19H,16-18,20-21H2,1-2H3

InChI Key

MUCICMNEWYWAAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27177736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.666

Distribution Coefficient, logD

5.666

Water Solubility, LogSw

-5.90

Polar Surface Area

40.316

Acid Dissociation Constant (pKa)

20.30

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

F588-0486 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 F588-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F588-0486?
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What is the minimum amount of F588-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F588-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F588-0486
  • 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 F588-0486 available by request