Y504-8553 Screening compound: N~5~-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-5-isoxazolecarboxamide

Y504-8553 Screening compound: N~5~-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-5-isoxazolecarboxamide
Y504-8553 Screening compound: N~5~-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-5-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-8553
N~5~-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-5-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

Y504-8553

Molecular Formula

C17H13ClN2O4 (C17 H13 ClN2 O4)

Compound Name

N~5~-(1,3-benzodioxol-5-yl)-3-(2-chlorophenyl)-4,5-dihydro-5-isoxazolecarboxamide

IUPAC name

n/a

SMILES

O=C(C(C1)ON=C1c(cccc1)c1Cl)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C17H13ClN2O4/c18-12-4-2-1-3-11(12)13-8-16(24-20-13)17(21)19-10-5-6-14-15(7-10)23-9-22-14/h1-7,16H,8-9H2,(H,19,21)/t16-/m1/s1

InChI Key

WKWMGVXRYPYZGR-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.417

Distribution Coefficient, logD

3.417

Water Solubility, LogSw

-3.93

Polar Surface Area

63.039

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with Y504-8553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-8553?
Check Price and Availability of Y504-8553, 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 Y504-8553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-8553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-8553
  • 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 Y504-8553 available by request