Y041-5122 Screening compound: 2-(2-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-2-phenylacetamido)acetic acid

Y041-5122 Screening compound: 2-(2-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-2-phenylacetamido)acetic acid
Y041-5122 Screening compound: 2-(2-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-2-phenylacetamido)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5122
2-(2-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-2-phenylacetamido)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

Y041-5122

Molecular Formula

C22H20N2O7 (C22 H20 N2 O7)

Compound Name

2-(2-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-2-phenylacetamido)acetic acid

IUPAC name

2-[(2R)-2-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-2-phenylacetamido]acetic acid

SMILES

CC(c(ccc(OCC(NC(C(NCC(O)=O)=O)c1ccccc1)=O)c1)c1O1)=CC1=O

InChI

InChI=1S/C22H20N2O7/c1-13-9-20(28)31-17-10-15(7-8-16(13)17)30-12-18(25)24-21(14-5-3-2-4-6-14)22(29)23-11-19(26)27/h2-10,21H,11-12H2,1H3,(H,23,29)(H,24,25)(H,26,27)/t21-/m1/s1

InChI Key

RCJDODISHKPZQJ-OAQYLSRUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.213

Distribution Coefficient, logD

-3.716

Water Solubility, LogSw

-2.32

Polar Surface Area

104.766

Acid Dissociation Constant (pKa)

3.47

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

Y041-5122 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 Y041-5122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5122?
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What is the minimum amount of Y041-5122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5122
  • 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 Y041-5122 available by request