Y040-8352 Screening compound: 2-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}butanedioic acid

Y040-8352 Screening compound: 2-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}butanedioic acid
Y040-8352 Screening compound: 2-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}butanedioic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8352
2-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}butanedioic 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

Y040-8352

Molecular Formula

C23H29NO8 (C23 H29 NO8)

Compound Name

2-{2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}butanedioic acid

IUPAC name

(2S)-2-{2-[(3-hexyl-48-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}butanedioic acid

SMILES

CCCCCCC1=C(C)c(ccc(OCC(NC(CC(O)=O)C(O)=O)=O)c2C)c2OC1=O

InChI

InChI=1S/C23H29NO8/c1-4-5-6-7-8-16-13(2)15-9-10-18(14(3)21(15)32-23(16)30)31-12-19(25)24-17(22(28)29)11-20(26)27/h9-10,17H,4-8,11-12H2,1-3H3,(H,24,25)(H,26,27)(H,28,29)/t17-/m0/s1

InChI Key

DEQQLBLPCLYGMH-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.705

Distribution Coefficient, logD

-1.355

Water Solubility, LogSw

-3.07

Polar Surface Area

109.324

Acid Dissociation Constant (pKa)

3.34

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with Y040-8352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8352?
Check Price and Availability of Y040-8352, 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 Y040-8352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8352
  • 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 Y040-8352 available by request