Y040-9144 Screening compound: 3-{2-[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}propanoic acid

Y040-9144 Screening compound: 3-{2-[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}propanoic acid
Y040-9144 Screening compound: 3-{2-[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9144
3-{2-[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}propanoic 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

Y040-9144

Molecular Formula

C21H27NO6 (C21 H27 NO6)

Compound Name

3-{2-[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}propanoic acid

IUPAC name

3-{2-[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}propanoic acid

SMILES

CCCCCCC1=C(C)c(ccc(OCC(NCCC(O)=O)=O)c2)c2OC1=O

InChI

InChI=1S/C21H27NO6/c1-3-4-5-6-7-17-14(2)16-9-8-15(12-18(16)28-21(17)26)27-13-19(23)22-11-10-20(24)25/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,22,23)(H,24,25)

InChI Key

PSKLWCDKWPBJGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03660473

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

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

0.182

Water Solubility, LogSw

-3.20

Polar Surface Area

81.356

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with Y040-9144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9144?
Check Price and Availability of Y040-9144, 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 Y040-9144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9144
  • 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 Y040-9144 available by request