Y041-2227 Screening compound: 2-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-3-(methylsulfanyl)propanoic acid

Y041-2227 Screening compound: 2-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-3-(methylsulfanyl)propanoic acid
Y041-2227 Screening compound: 2-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-3-(methylsulfanyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2227
2-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-3-(methylsulfanyl)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

Y041-2227

Molecular Formula

C16H16ClNO6S (C16 H16 ClNO6 S)

Compound Name

2-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-3-(methylsulfanyl)propanoic acid

IUPAC name

(2S)-2-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-3-(methylsulfanyl)propanoic acid

SMILES

CC(c(c(O1)c2)cc(Cl)c2O)=C(CC(NC(CSC)C(O)=O)=O)C1=O

InChI

InChI=1S/C16H16ClNO6S/c1-7-8-3-10(17)12(19)5-13(8)24-16(23)9(7)4-14(20)18-11(6-25-2)15(21)22/h3,5,11,19H,4,6H2,1-2H3,(H,18,20)(H,21,22)/t11-/m0/s1

InChI Key

YGJKRIMDJSSHMO-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.82

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.276

Distribution Coefficient, logD

-3.079

Water Solubility, LogSw

-2.65

Polar Surface Area

90.218

Acid Dissociation Constant (pKa)

3.05

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with Y041-2227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2227?
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What is the minimum amount of Y041-2227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2227
  • 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 Y041-2227 available by request