Y040-8329 Screening compound: 4-methyl-2-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamido}pentanoic acid

Y040-8329 Screening compound: 4-methyl-2-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamido}pentanoic acid
Y040-8329 Screening compound: 4-methyl-2-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamido}pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8329
4-methyl-2-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamido}pentanoic 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

Y040-8329

Molecular Formula

C20H25NO6 (C20 H25 NO6)

Compound Name

4-methyl-2-{2-[(3,4,7-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamido}pentanoic acid

IUPAC name

(2S)-4-methyl-2-{2-[(347-trimethyl-2-oxo-2H-chromen-5-yl)oxy]acetamido}pentanoic acid

SMILES

CC(C)CC(C(O)=O)NC(COc1cc(C)cc(O2)c1C(C)=C(C)C2=O)=O

InChI

InChI=1S/C20H25NO6/c1-10(2)6-14(19(23)24)21-17(22)9-26-15-7-11(3)8-16-18(15)12(4)13(5)20(25)27-16/h7-8,10,14H,6,9H2,1-5H3,(H,21,22)(H,23,24)/t14-/m0/s1

InChI Key

AKXRNVFUVPUWII-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.42

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

2.279

Distribution Coefficient, logD

-1.339

Water Solubility, LogSw

-2.36

Polar Surface Area

81.256

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

Y040-8329 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 Y040-8329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8329?
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What is the minimum amount of Y040-8329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8329
  • 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 Y040-8329 available by request