Y031-5812 Screening compound: 1-[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]-2,3-dihydro-1H-indole

Y031-5812 Screening compound: 1-[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]-2,3-dihydro-1H-indole
Y031-5812 Screening compound: 1-[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5812
1-[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]-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

Y031-5812

Molecular Formula

C19H20N2O2S (C19 H20 N2 O2 S)

Compound Name

1-[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]-2,3-dihydro-1H-indole

IUPAC name

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

SMILES

O=C(C(CC1)CCN1C(c1cccs1)=O)N(CC1)c2c1cccc2

InChI

InChI=1S/C19H20N2O2S/c22-18(21-12-9-14-4-1-2-5-16(14)21)15-7-10-20(11-8-15)19(23)17-6-3-13-24-17/h1-6,13,15H,7-12H2

InChI Key

MAXDTJLLSPNICL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09458051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.45

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

2.941

Distribution Coefficient, logD

2.941

Water Solubility, LogSw

-3.26

Polar Surface Area

33.584

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

Y031-5812 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y031-5812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5812?
Check Price and Availability of Y031-5812, 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 Y031-5812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5812
  • 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 Y031-5812 available by request