F588-0473 Screening compound: 1-[(3-methoxyphenyl)methyl]-2-methyl-3-{1-[2-(trifluoromethyl)benzenesulfonyl]-1,2,3,6-tetrahydropyridin-4-yl}-1H-indole

F588-0473 Screening compound: 1-[(3-methoxyphenyl)methyl]-2-methyl-3-{1-[2-(trifluoromethyl)benzenesulfonyl]-1,2,3,6-tetrahydropyridin-4-yl}-1H-indole
F588-0473 Screening compound: 1-[(3-methoxyphenyl)methyl]-2-methyl-3-{1-[2-(trifluoromethyl)benzenesulfonyl]-1,2,3,6-tetrahydropyridin-4-yl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound F588-0473
1-[(3-methoxyphenyl)methyl]-2-methyl-3-{1-[2-(trifluoromethyl)benzenesulfonyl]-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

F588-0473

Molecular Formula

C29H27F3N2O3S (C29 H27 F3 N2 O3 S)

Compound Name

1-[(3-methoxyphenyl)methyl]-2-methyl-3-{1-[2-(trifluoromethyl)benzenesulfonyl]-1,2,3,6-tetrahydropyridin-4-yl}-1H-indole

IUPAC name

1-[(3-methoxyphenyl)methyl]-2-methyl-3-{1-[2-(trifluoromethyl)benzenesulfonyl]-1236-tetrahydropyridin-4-yl}-1H-indole

SMILES

Cc(n(Cc1cc(OC)ccc1)c1c2cccc1)c2C(CC1)=CCN1S(c1c(C(F)(F)F)cccc1)(=O)=O

InChI

InChI=1S/C29H27F3N2O3S/c1-20-28(24-10-3-5-12-26(24)34(20)19-21-8-7-9-23(18-21)37-2)22-14-16-33(17-15-22)38(35,36)27-13-6-4-11-25(27)29(30,31)32/h3-14,18H,15-17,19H2,1-2H3

InChI Key

SIVWXJOKGHNSGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27177731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.61

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

6.834

Distribution Coefficient, logD

6.834

Water Solubility, LogSw

-6.18

Polar Surface Area

40.422

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

F588-0473 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 F588-0473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F588-0473?
Check Price and Availability of F588-0473, 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 F588-0473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F588-0473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F588-0473
  • 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 F588-0473 available by request