8018-8424 Screening compound: 3-benzyl-4-{(Z)-1-[4-(1-pyrrolidinyl)phenyl]methylidene}-5-isoxazolone

8018-8424 Screening compound: 3-benzyl-4-{(Z)-1-[4-(1-pyrrolidinyl)phenyl]methylidene}-5-isoxazolone
8018-8424 Screening compound: 3-benzyl-4-{(Z)-1-[4-(1-pyrrolidinyl)phenyl]methylidene}-5-isoxazolone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8424
3-benzyl-4-{(Z)-1-[4-(1-pyrrolidinyl)phenyl]methylidene}-5-isoxazolone

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

8018-8424

Molecular Formula

C21H20N2O2 (C21 H20 N2 O2)

Compound Name

3-benzyl-4-{(Z)-1-[4-(1-pyrrolidinyl)phenyl]methylidene}-5-isoxazolone

IUPAC name

n/a

SMILES

O=C1ON=C(Cc2ccccc2)/C1=C/c(cc1)ccc1N1CCCC1

InChI

InChI=1S/C21H20N2O2/c24-21-19(20(22-25-21)15-16-6-2-1-3-7-16)14-17-8-10-18(11-9-17)23-12-4-5-13-23/h1-3,6-11,14H,4-5,12-13,15H2

InChI Key

JTKCJEZZVURAFA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.180

Distribution Coefficient, logD

4.180

Water Solubility, LogSw

-4.26

Polar Surface Area

39.413

Acid Dissociation Constant (pKa)

20.96

Base Dissociation Constant (pKb)

8.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 8018-8424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8424?
Check Price and Availability of 8018-8424, 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 8018-8424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8424
  • 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 8018-8424 available by request