Y041-1723 Screening compound: 2-[2-(6,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-2-phenylacetic acid

Y041-1723 Screening compound: 2-[2-(6,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-2-phenylacetic acid
Y041-1723 Screening compound: 2-[2-(6,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-2-phenylacetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1723
2-[2-(6,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-2-phenylacetic 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

Y041-1723

Molecular Formula

C22H21NO7 (C22 H21 NO7)

Compound Name

2-[2-(6,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-2-phenylacetic acid

IUPAC name

(2S)-2-[2-(67-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-2-phenylacetic acid

SMILES

CC(c(cc(c(OC)c1)OC)c1O1)=C(CC(NC(C(O)=O)c2ccccc2)=O)C1=O

InChI

InChI=1S/C22H21NO7/c1-12-14-9-17(28-2)18(29-3)11-16(14)30-22(27)15(12)10-19(24)23-20(21(25)26)13-7-5-4-6-8-13/h4-9,11,20H,10H2,1-3H3,(H,23,24)(H,25,26)/t20-/m1/s1

InChI Key

JPXQHLGJCXEXLG-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.761

Distribution Coefficient, logD

-2.114

Water Solubility, LogSw

-2.54

Polar Surface Area

88.381

Acid Dissociation Constant (pKa)

3.53

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

Y041-1723 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-1723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1723?
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What is the minimum amount of Y041-1723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1723
  • 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 Y041-1723 available by request