L798-0062 Screening compound: 2-{1-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperidin-4-yl}-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one

L798-0062 Screening compound: 2-{1-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperidin-4-yl}-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
L798-0062 Screening compound: 2-{1-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperidin-4-yl}-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L798-0062
2-{1-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperidin-4-yl}-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one

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

L798-0062

Molecular Formula

C25H29N3O4S (C25 H29 N3 O4 S)

Compound Name

2-{1-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]piperidin-4-yl}-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one

IUPAC name

2-{1-[(1-acetyl-23-dihydro-1H-indol-5-yl)sulfonyl]piperidin-4-yl}-1-(23-dihydro-1H-indol-1-yl)ethan-1-one

SMILES

CC(N(CC1)c(cc2)c1cc2S(N1CCC(CC(N(CC2)c3c2cccc3)=O)CC1)(=O)=O)=O

InChI

InChI=1S/C25H29N3O4S/c1-18(29)27-14-11-21-17-22(6-7-24(21)27)33(31,32)26-12-8-19(9-13-26)16-25(30)28-15-10-20-4-2-3-5-23(20)28/h2-7,17,19H,8-16H2,1H3

InChI Key

RMHQOEIKDVYSHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27475595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.162

Distribution Coefficient, logD

3.162

Water Solubility, LogSw

-3.59

Polar Surface Area

63.519

Acid Dissociation Constant (pKa)

22.39

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

L798-0062 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L798-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L798-0062?
Check Price and Availability of L798-0062, 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 L798-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L798-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L798-0062
  • 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 L798-0062 available by request