Y031-5860 Screening compound: (2-methyl-2,3-dihydro-1H-indol-1-yl)[1-(2-thienylcarbonyl)-4-piperidyl]methanone

Y031-5860 Screening compound: (2-methyl-2,3-dihydro-1H-indol-1-yl)[1-(2-thienylcarbonyl)-4-piperidyl]methanone
Y031-5860 Screening compound: (2-methyl-2,3-dihydro-1H-indol-1-yl)[1-(2-thienylcarbonyl)-4-piperidyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5860
(2-methyl-2,3-dihydro-1H-indol-1-yl)[1-(2-thienylcarbonyl)-4-piperidyl]methanone

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

Y031-5860

Molecular Formula

C20H22N2O2S (C20 H22 N2 O2 S)

Compound Name

(2-methyl-2,3-dihydro-1H-indol-1-yl)[1-(2-thienylcarbonyl)-4-piperidyl]methanone

IUPAC name

2-methyl-1-[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]-23-dihydro-1H-indole

SMILES

CC(C1)N(C(C(CC2)CCN2C(c2cccs2)=O)=O)c2c1cccc2

InChI

InChI=1S/C20H22N2O2S/c1-14-13-16-5-2-3-6-17(16)22(14)19(23)15-8-10-21(11-9-15)20(24)18-7-4-12-25-18/h2-7,12,14-15H,8-11,13H2,1H3/t14-/m0/s1

InChI Key

QWAUGJQYVYVFQZ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD09458198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.198

Distribution Coefficient, logD

3.198

Water Solubility, LogSw

-3.27

Polar Surface Area

32.523

Acid Dissociation Constant (pKa)

22.36

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y031-5860 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-5860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5860?
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What is the minimum amount of Y031-5860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5860
  • 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 Y031-5860 available by request