Y040-6789 Screening compound: 2-[(6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoic acid

Y040-6789 Screening compound: 2-[(6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoic acid
Y040-6789 Screening compound: 2-[(6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6789
2-[(6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoic 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

Y040-6789

Molecular Formula

C18H13ClO5 (C18 H13 ClO5)

Compound Name

2-[(6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoic acid

IUPAC name

2-[(6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]propanoic acid

SMILES

CC(C(O)=O)Oc(cc(c(C(c1ccccc1)=C1)c2)OC1=O)c2Cl

InChI

InChI=1S/C18H13ClO5/c1-10(18(21)22)23-16-9-15-13(7-14(16)19)12(8-17(20)24-15)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)/t10-/m0/s1

InChI Key

IHPVIWJZZRTWJJ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00791727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.839

Distribution Coefficient, logD

-0.160

Water Solubility, LogSw

-4.08

Polar Surface Area

55.658

Acid Dissociation Constant (pKa)

3.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

Y040-6789 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Immune system
Targets:
  • Others
  • Others

References: we are preparing a list of scientific research reports with Y040-6789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6789?
Check Price and Availability of Y040-6789, 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 Y040-6789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6789
  • 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 Y040-6789 available by request