Y030-6804 Screening compound: N-[(oxolan-2-yl)methyl]-4-phenylbutanamide

Y030-6804 Screening compound: N-[(oxolan-2-yl)methyl]-4-phenylbutanamide
Y030-6804 Screening compound: N-[(oxolan-2-yl)methyl]-4-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-6804
N-[(oxolan-2-yl)methyl]-4-phenylbutanamide

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

Y030-6804

Molecular Formula

C15H21NO2 (C15 H21 NO2)

Compound Name

N-[(oxolan-2-yl)methyl]-4-phenylbutanamide

IUPAC name

N-[(oxolan-2-yl)methyl]-4-phenylbutanamide

SMILES

O=C(CCCc1ccccc1)NCC1OCCC1

InChI

InChI=1S/C15H21NO2/c17-15(16-12-14-9-5-11-18-14)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,16,17)/t14-/m1/s1

InChI Key

TYLOKPONSHZEHO-CQSZACIVSA-N

MDL Number (MFCD)

MFCD02924520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.021

Distribution Coefficient, logD

2.021

Water Solubility, LogSw

-2.20

Polar Surface Area

33.093

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

Y030-6804 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y030-6804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-6804?
Check Price and Availability of Y030-6804, 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 Y030-6804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-6804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-6804
  • 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 Y030-6804 available by request