Y040-1964 Screening compound: 2-{[3-(carboxymethoxy)-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl]oxy}acetic acid

Y040-1964 Screening compound: 2-{[3-(carboxymethoxy)-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl]oxy}acetic acid
Y040-1964 Screening compound: 2-{[3-(carboxymethoxy)-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl]oxy}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-1964
2-{[3-(carboxymethoxy)-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl]oxy}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

Y040-1964

Molecular Formula

C17H16O8 (C17 H16 O8)

Compound Name

2-{[3-(carboxymethoxy)-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl]oxy}acetic acid

IUPAC name

2-{[3-(carboxymethoxy)-6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-1-yl]oxy}acetic acid

SMILES

OC(COc1cc(OC(C2=C3CCCC2)=O)c3c(OCC(O)=O)c1)=O

InChI

InChI=1S/C17H16O8/c18-14(19)7-23-9-5-12(24-8-15(20)21)16-10-3-1-2-4-11(10)17(22)25-13(16)6-9/h5-6H,1-4,7-8H2,(H,18,19)(H,20,21)

InChI Key

DSAVUSBSPAOMAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01540198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.848

Distribution Coefficient, logD

-2.389

Water Solubility, LogSw

-1.92

Polar Surface Area

92.933

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

Y040-1964 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-1964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-1964?
Check Price and Availability of Y040-1964, 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 Y040-1964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-1964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-1964
  • 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 Y040-1964 available by request