Y040-6422 Screening compound: [(2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]acetic acid

Y040-6422 Screening compound: [(2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]acetic acid
Y040-6422 Screening compound: [(2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6422
[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-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

Y040-6422

Molecular Formula

C13H14O5 (C13 H14 O5)

Compound Name

[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]acetic acid

IUPAC name

2-[(22-dimethyl-4-oxo-34-dihydro-2H-1-benzopyran-7-yl)oxy]acetic acid

SMILES

CC(C)(C1)Oc(cc(cc2)OCC(O)=O)c2C1=O

InChI

InChI=1S/C13H14O5/c1-13(2)6-10(14)9-4-3-8(5-11(9)18-13)17-7-12(15)16/h3-5H,6-7H2,1-2H3,(H,15,16)

InChI Key

JOJCMTSSOUZRSI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.687

Distribution Coefficient, logD

-2.550

Water Solubility, LogSw

-2.38

Polar Surface Area

55.702

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

References: we are preparing a list of scientific research reports with Y040-6422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6422?
Check Price and Availability of Y040-6422, 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 Y040-6422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6422
  • 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 Y040-6422 available by request