Y300-3400 Screening compound: N-[3-(azepan-1-yl)propyl]-4-methoxy-3-methylbenzamide

Y300-3400 Screening compound: N-[3-(azepan-1-yl)propyl]-4-methoxy-3-methylbenzamide
Y300-3400 Screening compound: N-[3-(azepan-1-yl)propyl]-4-methoxy-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y300-3400
N-[3-(azepan-1-yl)propyl]-4-methoxy-3-methylbenzamide

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

Y300-3400

Molecular Formula

C18H28N2O2 (C18 H28 N2 O2)

Compound Name

N-[3-(azepan-1-yl)propyl]-4-methoxy-3-methylbenzamide

IUPAC name

N-[3-(azepan-1-yl)propyl]-4-methoxy-3-methylbenzamide

SMILES

Cc(cc(cc1)C(NCCCN2CCCCCC2)=O)c1OC

InChI

InChI=1S/C18H28N2O2/c1-15-14-16(8-9-17(15)22-2)18(21)19-10-7-13-20-11-5-3-4-6-12-20/h8-9,14H,3-7,10-13H2,1-2H3,(H,19,21)

InChI Key

HJICRVVYNIZBHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22441479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.899

Distribution Coefficient, logD

0.329

Water Solubility, LogSw

-3.13

Polar Surface Area

36.437

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

Y300-3400 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with Y300-3400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y300-3400?
Check Price and Availability of Y300-3400, 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 Y300-3400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y300-3400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y300-3400
  • 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 Y300-3400 available by request