Y040-5408 Screening compound: 3-benzyl-1,2-benzisoxazol-6-yl 2-furoate

Y040-5408 Screening compound: 3-benzyl-1,2-benzisoxazol-6-yl 2-furoate
Y040-5408 Screening compound: 3-benzyl-1,2-benzisoxazol-6-yl 2-furoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5408
3-benzyl-1,2-benzisoxazol-6-yl 2-furoate

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

Y040-5408

Molecular Formula

C19H13NO4 (C19 H13 NO4)

Compound Name

3-benzyl-1,2-benzisoxazol-6-yl 2-furoate

IUPAC name

3-benzyl-12-benzoxazol-6-yl furan-2-carboxylate

SMILES

O=C(c1ccco1)Oc(cc1)cc2c1c(Cc1ccccc1)no2

InChI

InChI=1S/C19H13NO4/c21-19(17-7-4-10-22-17)23-14-8-9-15-16(20-24-18(15)12-14)11-13-5-2-1-3-6-13/h1-10,12H,11H2

InChI Key

UVKRUJISHRPOBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12207042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.933

Distribution Coefficient, logD

3.933

Water Solubility, LogSw

-4.30

Polar Surface Area

51.617

Acid Dissociation Constant (pKa)

29.41

Base Dissociation Constant (pKb)

-4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.26

Y040-5408 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with Y040-5408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5408?
Check Price and Availability of Y040-5408, 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 Y040-5408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5408
  • 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 Y040-5408 available by request