Y300-3617 Screening compound: N-[(cyclohex-1-en-1-yl)methyl]-4-methoxy-3-methylbenzamide

Y300-3617 Screening compound: N-[(cyclohex-1-en-1-yl)methyl]-4-methoxy-3-methylbenzamide
Y300-3617 Screening compound: N-[(cyclohex-1-en-1-yl)methyl]-4-methoxy-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y300-3617
N-[(cyclohex-1-en-1-yl)methyl]-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

Y300-3617

Molecular Formula

C16H21NO2 (C16 H21 NO2)

Compound Name

N-[(cyclohex-1-en-1-yl)methyl]-4-methoxy-3-methylbenzamide

IUPAC name

N-[(cyclohex-1-en-1-yl)methyl]-4-methoxy-3-methylbenzamide

SMILES

Cc(cc(cc1)C(NCC2=CCCCC2)=O)c1OC

InChI

InChI=1S/C16H21NO2/c1-12-10-14(8-9-15(12)19-2)16(18)17-11-13-6-4-3-5-7-13/h6,8-10H,3-5,7,11H2,1-2H3,(H,17,18)

InChI Key

FENCVLFBVISYGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22439342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.557

Distribution Coefficient, logD

3.557

Water Solubility, LogSw

-3.61

Polar Surface Area

32.474

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

Y300-3617 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y300-3617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y300-3617?
Check Price and Availability of Y300-3617, 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 Y300-3617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y300-3617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y300-3617
  • 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 Y300-3617 available by request