D256-0097 Screening compound: 5-(4-benzylpiperidine-1-carbonyl)-1-methanesulfonyl-2,3-dihydro-1H-indole

D256-0097 Screening compound: 5-(4-benzylpiperidine-1-carbonyl)-1-methanesulfonyl-2,3-dihydro-1H-indole
D256-0097 Screening compound: 5-(4-benzylpiperidine-1-carbonyl)-1-methanesulfonyl-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound D256-0097
5-(4-benzylpiperidine-1-carbonyl)-1-methanesulfonyl-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

D256-0097

Molecular Formula

C22H26N2O3S (C22 H26 N2 O3 S)

Compound Name

5-(4-benzylpiperidine-1-carbonyl)-1-methanesulfonyl-2,3-dihydro-1H-indole

IUPAC name

5-(4-benzylpiperidine-1-carbonyl)-1-methanesulfonyl-23-dihydro-1H-indole

SMILES

CS(N(CC1)c(cc2)c1cc2C(N1CCC(Cc2ccccc2)CC1)=O)(=O)=O

InChI

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

InChI Key

GUHYJABDQAQBPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09396833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.293

Distribution Coefficient, logD

3.293

Water Solubility, LogSw

-3.77

Polar Surface Area

47.898

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

D256-0097 in Drug Discovery

Included in Screening Libraries

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

Proline Kinase Library (2105 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with D256-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D256-0097?
Check Price and Availability of D256-0097, 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 D256-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D256-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D256-0097
  • 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 D256-0097 available by request