Y031-4514 Screening compound: 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-2-methyl-2,3-dihydro-1H-indole

Y031-4514 Screening compound: 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-2-methyl-2,3-dihydro-1H-indole
Y031-4514 Screening compound: 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-2-methyl-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4514
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-2-methyl-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

Y031-4514

Molecular Formula

C20H22N2O3 (C20 H22 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C1)N(C(C(CC2)CCN2C(c2ccco2)=O)=O)c2c1cccc2

InChI

InChI=1S/C20H22N2O3/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

PYSPDUYSILIRPO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD08091503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.479

Distribution Coefficient, logD

2.479

Water Solubility, LogSw

-2.49

Polar Surface Area

40.083

Acid Dissociation Constant (pKa)

22.36

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y031-4514 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y031-4514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4514?
Check Price and Availability of Y031-4514, 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 Y031-4514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4514
  • 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 Y031-4514 available by request