S690-1978 Screening compound: 1-{4-[(1-methanesulfonylpiperidin-4-yl)methyl]benzoyl}-2,3-dihydro-1H-indole

S690-1978 Screening compound: 1-{4-[(1-methanesulfonylpiperidin-4-yl)methyl]benzoyl}-2,3-dihydro-1H-indole
S690-1978 Screening compound: 1-{4-[(1-methanesulfonylpiperidin-4-yl)methyl]benzoyl}-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S690-1978
1-{4-[(1-methanesulfonylpiperidin-4-yl)methyl]benzoyl}-2,3-dihydro-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

S690-1978

Molecular Formula

C22H26N2O3S (C22 H26 N2 O3 S)

Compound Name

1-{4-[(1-methanesulfonylpiperidin-4-yl)methyl]benzoyl}-2,3-dihydro-1H-indole

IUPAC name

1-{4-[(1-methanesulfonylpiperidin-4-yl)methyl]benzoyl}-23-dihydro-1H-indole

SMILES

CS(N1CCC(Cc(cc2)ccc2C(N(CC2)c3c2cccc3)=O)CC1)(=O)=O

InChI

InChI=1S/C22H26N2O3S/c1-28(26,27)23-13-10-18(11-14-23)16-17-6-8-20(9-7-17)22(25)24-15-12-19-4-2-3-5-21(19)24/h2-9,18H,10-16H2,1H3

InChI Key

PWULMUVTOGPRCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31978822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.574

Distribution Coefficient, logD

3.574

Water Solubility, LogSw

-3.80

Polar Surface Area

47.121

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

S690-1978 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S690-1978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S690-1978?
Check Price and Availability of S690-1978, 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 S690-1978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S690-1978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S690-1978
  • 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 S690-1978 available by request