Y505-4458 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'~1~-((E)-1-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}methylidene)acetohydrazide

Y505-4458 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'~1~-((E)-1-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}methylidene)acetohydrazide
Y505-4458 Screening compound: 2-(1,3-benzoxazol-2-ylsulfanyl)-N'~1~-((E)-1-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}methylidene)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y505-4458
2-(1,3-benzoxazol-2-ylsulfanyl)-N'~1~-((E)-1-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}methylidene)acetohydrazide

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

Y505-4458

Molecular Formula

C25H22FN3O4S (C25 H22 FN3 O4 S)

Compound Name

2-(1,3-benzoxazol-2-ylsulfanyl)-N'~1~-((E)-1-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}methylidene)acetohydrazide

IUPAC name

n/a

SMILES

CCOc(cc(/C=N/NC(CSc1nc(cccc2)c2o1)=O)cc1)c1OCc(cc1)ccc1F

InChI

InChI=1S/C25H22FN3O4S/c1-2-31-23-13-18(9-12-22(23)32-15-17-7-10-19(26)11-8-17)14-27-29-24(30)16-34-25-28-20-5-3-4-6-21(20)33-25/h3-14H,2,15-16H2,1H3,(H,29,30)

InChI Key

ILPGQIRAWNFFBJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.970

Distribution Coefficient, logD

4.970

Water Solubility, LogSw

-4.86

Polar Surface Area

66.529

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.00

References: we are preparing a list of scientific research reports with Y505-4458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y505-4458?
Check Price and Availability of Y505-4458, 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 Y505-4458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y505-4458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y505-4458
  • 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 Y505-4458 available by request