Y501-0560 Screening compound: N-cycloheptyl-4,5-dimethyl-3-isoxazolecarboxamide

Y501-0560 Screening compound: N-cycloheptyl-4,5-dimethyl-3-isoxazolecarboxamide
Y501-0560 Screening compound: N-cycloheptyl-4,5-dimethyl-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-0560
N-cycloheptyl-4,5-dimethyl-3-isoxazolecarboxamide

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

Y501-0560

Molecular Formula

C13H20N2O2 (C13 H20 N2 O2)

Compound Name

N-cycloheptyl-4,5-dimethyl-3-isoxazolecarboxamide

IUPAC name

N-cycloheptyl-45-dimethyl-12-oxazole-3-carboxamide

SMILES

Cc1c(C)onc1C(NC1CCCCCC1)=O

InChI

InChI=1S/C13H20N2O2/c1-9-10(2)17-15-12(9)13(16)14-11-7-5-3-4-6-8-11/h11H,3-8H2,1-2H3,(H,14,16)

InChI Key

VRNQLHUQHCCICQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.798

Distribution Coefficient, logD

2.798

Water Solubility, LogSw

-2.89

Polar Surface Area

46.940

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.23

References: we are preparing a list of scientific research reports with Y501-0560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-0560?
Check Price and Availability of Y501-0560, 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 Y501-0560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-0560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-0560
  • 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 Y501-0560 available by request