Y031-6901 Screening compound: 4-phenyl-N-(3-pyridylmethyl)butanamide

Y031-6901 Screening compound: 4-phenyl-N-(3-pyridylmethyl)butanamide
Y031-6901 Screening compound: 4-phenyl-N-(3-pyridylmethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6901
4-phenyl-N-(3-pyridylmethyl)butanamide

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

Y031-6901

Molecular Formula

C16H18N2O (C16 H18 N2 O)

Compound Name

4-phenyl-N-(3-pyridylmethyl)butanamide

IUPAC name

4-phenyl-N-[(pyridin-3-yl)methyl]butanamide

SMILES

O=C(CCCc1ccccc1)NCc1cnccc1

InChI

InChI=1S/C16H18N2O/c19-16(18-13-15-9-5-11-17-12-15)10-4-8-14-6-2-1-3-7-14/h1-3,5-7,9,11-12H,4,8,10,13H2,(H,18,19)

InChI Key

KMCMCNLMKQNFEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03348362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.33

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

2.338

Distribution Coefficient, logD

2.335

Water Solubility, LogSw

-2.24

Polar Surface Area

33.956

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y031-6901 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-6901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6901?
Check Price and Availability of Y031-6901, 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 Y031-6901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6901
  • 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 Y031-6901 available by request