Y040-8337 Screening compound: 2-{2-[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-3-methylbutanoic acid

Y040-8337 Screening compound: 2-{2-[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-3-methylbutanoic acid
Y040-8337 Screening compound: 2-{2-[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-3-methylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8337
2-{2-[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-3-methylbutanoic 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

Y040-8337

Molecular Formula

C23H31NO6 (C23 H31 NO6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H31NO6/c1-5-6-7-8-9-18-15(4)17-11-10-16(12-19(17)30-23(18)28)29-13-20(25)24-21(14(2)3)22(26)27/h10-12,14,21H,5-9,13H2,1-4H3,(H,24,25)(H,26,27)/t21-/m0/s1

InChI Key

SKNUVNOMYZLYKI-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.5

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

3.417

Distribution Coefficient, logD

-0.170

Water Solubility, LogSw

-3.47

Polar Surface Area

80.891

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

References: we are preparing a list of scientific research reports with Y040-8337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8337?
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What is the minimum amount of Y040-8337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8337
  • 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 Y040-8337 available by request