Y040-8313 Screening compound: 2-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-4-(methylsulfanyl)butanoic acid

Y040-8313 Screening compound: 2-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-4-(methylsulfanyl)butanoic acid
Y040-8313 Screening compound: 2-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-4-(methylsulfanyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8313
2-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-4-(methylsulfanyl)butanoic 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

Y040-8313

Molecular Formula

C22H29NO6S (C22 H29 NO6 S)

Compound Name

2-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-4-(methylsulfanyl)butanoic acid

IUPAC name

(2S)-2-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-4-(methylsulfanyl)butanoic acid

SMILES

CCCCC(c(ccc(OC(C)C(NC(CCSC)C(O)=O)=O)c1C)c1O1)=CC1=O

InChI

InChI=1S/C22H29NO6S/c1-5-6-7-15-12-19(24)29-20-13(2)18(9-8-16(15)20)28-14(3)21(25)23-17(22(26)27)10-11-30-4/h8-9,12,14,17H,5-7,10-11H2,1-4H3,(H,23,25)(H,26,27)/t14?,17-/m0/s1

InChI Key

IGEMCFUXXCCYPI-JRZJBTRGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.030

Distribution Coefficient, logD

-0.588

Water Solubility, LogSw

-3.44

Polar Surface Area

79.929

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with Y040-8313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8313?
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What is the minimum amount of Y040-8313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8313
  • 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 Y040-8313 available by request