Y042-8520 Screening compound: (2S)-4-(methylsulfanyl)-2-({2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)butanoic acid

Y042-8520 Screening compound: (2S)-4-(methylsulfanyl)-2-({2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)butanoic acid
Y042-8520 Screening compound: (2S)-4-(methylsulfanyl)-2-({2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-8520
(2S)-4-(methylsulfanyl)-2-({2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)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

Y042-8520

Molecular Formula

C19H23NO6S (C19 H23 NO6 S)

Compound Name

(2S)-4-(methylsulfanyl)-2-({2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)butanoic acid

IUPAC name

(2S)-4-(methylsulfanyl)-2-{2-[(348-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}butanoic acid

SMILES

Cc(c(O1)c(cc2)C(C)=C(C)C1=O)c2OCC(NC(CCSC)C(O)=O)=O

InChI

InChI=1S/C19H23NO6S/c1-10-11(2)19(24)26-17-12(3)15(6-5-13(10)17)25-9-16(21)20-14(18(22)23)7-8-27-4/h5-6,14H,7-9H2,1-4H3,(H,20,21)(H,22,23)/t14-/m0/s1

InChI Key

VCHGRYJSKCAOQO-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.740

Distribution Coefficient, logD

-1.878

Water Solubility, LogSw

-2.65

Polar Surface Area

80.940

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with Y042-8520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-8520?
Check Price and Availability of Y042-8520, 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 Y042-8520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-8520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-8520
  • 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 Y042-8520 available by request