Y040-8285 Screening compound: 2-{2-[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-4-methylpentanoic acid

Y040-8285 Screening compound: 2-{2-[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-4-methylpentanoic acid
Y040-8285 Screening compound: 2-{2-[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-4-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8285
2-{2-[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]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

Y040-8285

Molecular Formula

C21H27NO6 (C21 H27 NO6)

Compound Name

2-{2-[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-4-methylpentanoic acid

IUPAC name

(2S)-2-{2-[(4-butyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-4-methylpentanoic acid

SMILES

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

InChI

InChI=1S/C21H27NO6/c1-4-5-6-14-10-20(24)28-18-11-15(7-8-16(14)18)27-12-19(23)22-17(21(25)26)9-13(2)3/h7-8,10-11,13,17H,4-6,9,12H2,1-3H3,(H,22,23)(H,25,26)/t17-/m0/s1

InChI Key

ZKSKWALACRWCGI-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.392

Distribution Coefficient, logD

-1.226

Water Solubility, LogSw

-2.92

Polar Surface Area

80.655

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

Y040-8285 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

NOTUM (Wnt signaling) Library (3881 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 Y040-8285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8285?
Check Price and Availability of Y040-8285, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y040-8285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8285
  • 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 Y040-8285 available by request