Y040-2122 Screening compound: methyl 2-[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]-2-phenylacetate

Y040-2122 Screening compound: methyl 2-[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]-2-phenylacetate
Y040-2122 Screening compound: methyl 2-[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2122
methyl 2-[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]-2-phenylacetate

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

Y040-2122

Molecular Formula

C22H22O5 (C22 H22 O5)

Compound Name

methyl 2-[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]-2-phenylacetate

IUPAC name

methyl 2-[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]-2-phenylacetate

SMILES

CCCCC(c(ccc(OC(C(OC)=O)c1ccccc1)c1)c1O1)=CC1=O

InChI

InChI=1S/C22H22O5/c1-3-4-8-16-13-20(23)27-19-14-17(11-12-18(16)19)26-21(22(24)25-2)15-9-6-5-7-10-15/h5-7,9-14,21H,3-4,8H2,1-2H3/t21-/m1/s1

InChI Key

OKHNWFQZPXOLGU-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD06763490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.764

Distribution Coefficient, logD

4.764

Water Solubility, LogSw

-4.76

Polar Surface Area

48.323

Acid Dissociation Constant (pKa)

20.38

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with Y040-2122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2122?
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What is the minimum amount of Y040-2122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2122
  • 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 Y040-2122 available by request