Y041-1716 Screening compound: 2-[2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido]-4-methylpentanoic acid

Y041-1716 Screening compound: 2-[2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido]-4-methylpentanoic acid
Y041-1716 Screening compound: 2-[2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido]-4-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1716
2-[2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido]-4-methylpentanoic 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

Y041-1716

Molecular Formula

C19H23NO6 (C19 H23 NO6)

Compound Name

2-[2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamido]-4-methylpentanoic acid

IUPAC name

(2R)-2-[2-(7-hydroxy-48-dimethyl-2-oxo-2H-chromen-3-yl)acetamido]-4-methylpentanoic acid

SMILES

CC(C)CC(C(O)=O)NC(CC1=C(C)c(ccc(O)c2C)c2OC1=O)=O

InChI

InChI=1S/C19H23NO6/c1-9(2)7-14(18(23)24)20-16(22)8-13-10(3)12-5-6-15(21)11(4)17(12)26-19(13)25/h5-6,9,14,21H,7-8H2,1-4H3,(H,20,22)(H,23,24)/t14-/m0/s1

InChI Key

NFRAFQYOBWWQRI-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.514

Distribution Coefficient, logD

-2.104

Water Solubility, LogSw

-2.22

Polar Surface Area

89.902

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

Y041-1716 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y041-1716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1716?
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What is the minimum amount of Y041-1716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1716
  • 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 Y041-1716 available by request