Y041-5402 Screening compound: (2S)-2-({2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)-3-phenylpropanoic acid

Y041-5402 Screening compound: (2S)-2-({2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)-3-phenylpropanoic acid
Y041-5402 Screening compound: (2S)-2-({2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5402
(2S)-2-({2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)-3-phenylpropanoic 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

Y041-5402

Molecular Formula

C22H21NO6 (C22 H21 NO6)

Compound Name

(2S)-2-({2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)-3-phenylpropanoic acid

IUPAC name

(2S)-2-{2-[(34-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-3-phenylpropanoic acid

SMILES

CC(c(ccc(OCC(NC(Cc1ccccc1)C(O)=O)=O)c1)c1O1)=C(C)C1=O

InChI

InChI=1S/C22H21NO6/c1-13-14(2)22(27)29-19-11-16(8-9-17(13)19)28-12-20(24)23-18(21(25)26)10-15-6-4-3-5-7-15/h3-9,11,18H,10,12H2,1-2H3,(H,23,24)(H,25,26)/t18-/m0/s1

InChI Key

DRRKROHDVNVZLV-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.802

Distribution Coefficient, logD

-1.789

Water Solubility, LogSw

-2.71

Polar Surface Area

80.898

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.73

Y041-5402 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y041-5402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5402?
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What is the minimum amount of Y041-5402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5402
  • 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 Y041-5402 available by request