Y040-3513 Screening compound: methyl 2-[5-(2-{[1,1'-biphenyl]-4-yl}-2-oxoethoxy)-4,7-dimethyl-2-oxo-2H-chromen-3-yl]acetate

Y040-3513 Screening compound: methyl 2-[5-(2-{[1,1'-biphenyl]-4-yl}-2-oxoethoxy)-4,7-dimethyl-2-oxo-2H-chromen-3-yl]acetate
Y040-3513 Screening compound: methyl 2-[5-(2-{[1,1'-biphenyl]-4-yl}-2-oxoethoxy)-4,7-dimethyl-2-oxo-2H-chromen-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3513
methyl 2-[5-(2-{[1,1'-biphenyl]-4-yl}-2-oxoethoxy)-4,7-dimethyl-2-oxo-2H-chromen-3-yl]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

Y040-3513

Molecular Formula

C28H24O6 (C28 H24 O6)

Compound Name

methyl 2-[5-(2-{[1,1'-biphenyl]-4-yl}-2-oxoethoxy)-4,7-dimethyl-2-oxo-2H-chromen-3-yl]acetate

IUPAC name

methyl 2-[5-(2-{[11'-biphenyl]-4-yl}-2-oxoethoxy)-47-dimethyl-2-oxo-2H-chromen-3-yl]acetate

SMILES

Cc1cc(OC(C(CC(OC)=O)=C2C)=O)c2c(OCC(c(cc2)ccc2-c2ccccc2)=O)c1

InChI

InChI=1S/C28H24O6/c1-17-13-24(27-18(2)22(15-26(30)32-3)28(31)34-25(27)14-17)33-16-23(29)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-14H,15-16H2,1-3H3

InChI Key

HKKOHQYIUUXTIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05997292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.389

Distribution Coefficient, logD

5.389

Water Solubility, LogSw

-5.63

Polar Surface Area

62.029

Acid Dissociation Constant (pKa)

21.64

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

Y040-3513 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y040-3513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3513?
Check Price and Availability of Y040-3513, 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 Y040-3513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3513
  • 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 Y040-3513 available by request