Y041-2001 Screening compound: methyl 4-({7-[(1-ethoxy-1-oxopropan-2-yl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate

Y041-2001 Screening compound: methyl 4-({7-[(1-ethoxy-1-oxopropan-2-yl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate
Y041-2001 Screening compound: methyl 4-({7-[(1-ethoxy-1-oxopropan-2-yl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2001
methyl 4-({7-[(1-ethoxy-1-oxopropan-2-yl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate

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

Y041-2001

Molecular Formula

C22H20O8 (C22 H20 O8)

Compound Name

methyl 4-({7-[(1-ethoxy-1-oxopropan-2-yl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate

IUPAC name

methyl 4-({7-[(1-ethoxy-1-oxopropan-2-yl)oxy]-4-oxo-4H-chromen-3-yl}oxy)benzoate

SMILES

CCOC(C(C)Oc(cc1)cc(OC=C2Oc(cc3)ccc3C(OC)=O)c1C2=O)=O

InChI

InChI=1S/C22H20O8/c1-4-27-21(24)13(2)29-16-9-10-17-18(11-16)28-12-19(20(17)23)30-15-7-5-14(6-8-15)22(25)26-3/h5-13H,4H2,1-3H3/t13-/m0/s1

InChI Key

QGGUASXWHPTCFA-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD00585203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.429

Distribution Coefficient, logD

3.429

Water Solubility, LogSw

-3.64

Polar Surface Area

76.286

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with Y041-2001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2001?
Check Price and Availability of Y041-2001, 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 Y041-2001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2001
  • 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 Y041-2001 available by request