Y030-6664 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-phenylbutanamide

Y030-6664 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-phenylbutanamide
Y030-6664 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-6664
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-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

Y030-6664

Molecular Formula

C18H19NO3 (C18 H19 NO3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-phenylbutanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-phenylbutanamide

SMILES

CC(CC(NCc(cc1)cc2c1OCO2)=O)c1ccccc1

InChI

InChI=1S/C18H19NO3/c1-13(15-5-3-2-4-6-15)9-18(20)19-11-14-7-8-16-17(10-14)22-12-21-16/h2-8,10,13H,9,11-12H2,1H3,(H,19,20)/t13-/m0/s1

InChI Key

YUFBKHBRUAOPHB-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03043066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.667

Distribution Coefficient, logD

3.667

Water Solubility, LogSw

-3.79

Polar Surface Area

41.554

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

Y030-6664 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Cardiovascular Library (22201 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y030-6664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-6664?
Check Price and Availability of Y030-6664, 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 Y030-6664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-6664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-6664
  • 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 Y030-6664 available by request