Y040-4705 Screening compound: 2-(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)acetic acid

Y040-4705 Screening compound: 2-(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)acetic acid
Y040-4705 Screening compound: 2-(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4705
2-(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)acetic acid

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

Y040-4705

Molecular Formula

C20H16ClNO6 (C20 H16 ClNO6)

Compound Name

2-(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)acetic acid

IUPAC name

2-(2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)acetic acid

SMILES

CC(Oc1c2ccc(OCC(NCC(O)=O)=O)c1)=C(c(cc1)ccc1Cl)C2=O

InChI

InChI=1S/C20H16ClNO6/c1-11-19(12-2-4-13(21)5-3-12)20(26)15-7-6-14(8-16(15)28-11)27-10-17(23)22-9-18(24)25/h2-8H,9-10H2,1H3,(H,22,23)(H,24,25)

InChI Key

OXQAJMMPNDZPOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10041997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.8

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.018

Distribution Coefficient, logD

-1.868

Water Solubility, LogSw

-3.12

Polar Surface Area

80.680

Acid Dissociation Constant (pKa)

3.51

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

Y040-4705 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-4705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4705?
Check Price and Availability of Y040-4705, 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 Y040-4705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4705
  • 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 Y040-4705 available by request