Y040-5918 Screening compound: benzyl 2-[(3-phenyl-1,2-benzoxazol-6-yl)oxy]acetate

Y040-5918 Screening compound: benzyl 2-[(3-phenyl-1,2-benzoxazol-6-yl)oxy]acetate
Y040-5918 Screening compound: benzyl 2-[(3-phenyl-1,2-benzoxazol-6-yl)oxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5918
benzyl 2-[(3-phenyl-1,2-benzoxazol-6-yl)oxy]acetate

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

Y040-5918

Molecular Formula

C22H17NO4 (C22 H17 NO4)

Compound Name

benzyl 2-[(3-phenyl-1,2-benzoxazol-6-yl)oxy]acetate

IUPAC name

benzyl 2-[(3-phenyl-12-benzoxazol-6-yl)oxy]acetate

SMILES

O=C(COc(cc1)cc2c1c(-c1ccccc1)no2)OCc1ccccc1

InChI

InChI=1S/C22H17NO4/c24-21(26-14-16-7-3-1-4-8-16)15-25-18-11-12-19-20(13-18)27-23-22(19)17-9-5-2-6-10-17/h1-13H,14-15H2

InChI Key

GLHLGHUMNDXGQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12218630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.617

Distribution Coefficient, logD

4.617

Water Solubility, LogSw

-4.81

Polar Surface Area

49.928

Acid Dissociation Constant (pKa)

23.41

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

Y040-5918 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-5918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5918?
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What is the minimum amount of Y040-5918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5918
  • 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 Y040-5918 available by request