F588-0053 Screening compound: N-{4-[(4-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]phenyl}propanamide

F588-0053 Screening compound: N-{4-[(4-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]phenyl}propanamide
F588-0053 Screening compound: N-{4-[(4-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]phenyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F588-0053
N-{4-[(4-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]phenyl}propanamide

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

F588-0053

Molecular Formula

C30H30FN3O3S (C30 H30 FN3 O3 S)

Compound Name

N-{4-[(4-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]phenyl}propanamide

IUPAC name

N-{4-[(4-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-indol-3-yl}-1236-tetrahydropyridin-1-yl)sulfonyl]phenyl}propanamide

SMILES

CCC(Nc(cc1)ccc1S(N(CC1)CC=C1c1c(C)n(Cc(cc2)ccc2F)c2c1cccc2)(=O)=O)=O

InChI

InChI=1S/C30H30FN3O3S/c1-3-29(35)32-25-12-14-26(15-13-25)38(36,37)33-18-16-23(17-19-33)30-21(2)34(28-7-5-4-6-27(28)30)20-22-8-10-24(31)11-9-22/h4-16H,3,17-20H2,1-2H3,(H,32,35)

InChI Key

HUZTVWBNPLEKJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27177546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.730

Distribution Coefficient, logD

5.729

Water Solubility, LogSw

-5.67

Polar Surface Area

56.028

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with F588-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F588-0053?
Check Price and Availability of F588-0053, 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 F588-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F588-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F588-0053
  • 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 F588-0053 available by request