Y042-9713 Screening compound: tert-butyl 2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate

Y042-9713 Screening compound: tert-butyl 2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate
Y042-9713 Screening compound: tert-butyl 2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-9713
tert-butyl 2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-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

Y042-9713

Molecular Formula

C21H20O6 (C21 H20 O6)

Compound Name

tert-butyl 2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate

IUPAC name

tert-butyl 2-[(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]acetate

SMILES

CC(C)(C)OC(COc(cc1O)cc(OC(c2ccccc2)=C2)c1C2=O)=O

InChI

InChI=1S/C21H20O6/c1-21(2,3)27-19(24)12-25-14-9-15(22)20-16(23)11-17(26-18(20)10-14)13-7-5-4-6-8-13/h4-11,22H,12H2,1-3H3

InChI Key

TWBYICCJKQMSBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02081664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.749

Distribution Coefficient, logD

4.745

Water Solubility, LogSw

-4.53

Polar Surface Area

65.101

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

Y042-9713 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-9713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-9713?
Check Price and Availability of Y042-9713, 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 Y042-9713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-9713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-9713
  • 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 Y042-9713 available by request