F588-0616 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-3-[1-(4-ethoxybenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indole

F588-0616 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-3-[1-(4-ethoxybenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indole
F588-0616 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-3-[1-(4-ethoxybenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound F588-0616
1-[(2-chloro-6-fluorophenyl)methyl]-3-[1-(4-ethoxybenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-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

F588-0616

Molecular Formula

C29H28ClFN2O3S (C29 H28 ClFN2 O3 S)

Compound Name

1-[(2-chloro-6-fluorophenyl)methyl]-3-[1-(4-ethoxybenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indole

IUPAC name

1-[(2-chloro-6-fluorophenyl)methyl]-3-[1-(4-ethoxybenzenesulfonyl)-1236-tetrahydropyridin-4-yl]-2-methyl-1H-indole

SMILES

CCOc(cc1)ccc1S(N(CC1)CC=C1c1c(C)n(Cc(c(F)ccc2)c2Cl)c2c1cccc2)(=O)=O

InChI

InChI=1S/C29H28ClFN2O3S/c1-3-36-22-11-13-23(14-12-22)37(34,35)32-17-15-21(16-18-32)29-20(2)33(28-10-5-4-7-24(28)29)19-25-26(30)8-6-9-27(25)31/h4-15H,3,16-19H2,1-2H3

InChI Key

DUKCQXDOBMVTHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27177786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.07

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

6.974

Distribution Coefficient, logD

6.974

Water Solubility, LogSw

-6.75

Polar Surface Area

40.002

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

F588-0616 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with F588-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F588-0616?
Check Price and Availability of F588-0616, 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 F588-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F588-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F588-0616
  • 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 F588-0616 available by request