Y207-0945 Screening compound: N~4~-(4-chlorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide

Y207-0945 Screening compound: N~4~-(4-chlorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
Y207-0945 Screening compound: N~4~-(4-chlorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y207-0945
N~4~-(4-chlorobenzyl)-3,5-dimethyl-4-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

Y207-0945

Molecular Formula

C13H13ClN2O2 (C13 H13 ClN2 O2)

Compound Name

N~4~-(4-chlorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide

IUPAC name

N-[(4-chlorophenyl)methyl]-35-dimethyl-12-oxazole-4-carboxamide

SMILES

Cc1noc(C)c1C(NCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C13H13ClN2O2/c1-8-12(9(2)18-16-8)13(17)15-7-10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3,(H,15,17)

InChI Key

GVMWZYDFCNLYFR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.236

Distribution Coefficient, logD

2.235

Water Solubility, LogSw

-3.51

Polar Surface Area

46.690

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

Y207-0945 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y207-0945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y207-0945?
Check Price and Availability of Y207-0945, 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 Y207-0945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y207-0945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y207-0945
  • 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 Y207-0945 available by request