Y042-8710 Screening compound: 2-{[(7-hydroxy-3,4-dimethyl-2-oxo-2H-chromen-8-yl)methyl]amino}-3-phenylpropanoic acid

Y042-8710 Screening compound: 2-{[(7-hydroxy-3,4-dimethyl-2-oxo-2H-chromen-8-yl)methyl]amino}-3-phenylpropanoic acid
Y042-8710 Screening compound: 2-{[(7-hydroxy-3,4-dimethyl-2-oxo-2H-chromen-8-yl)methyl]amino}-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-8710
2-{[(7-hydroxy-3,4-dimethyl-2-oxo-2H-chromen-8-yl)methyl]amino}-3-phenylpropanoic 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

Y042-8710

Molecular Formula

C21H21NO5 (C21 H21 NO5)

Compound Name

2-{[(7-hydroxy-3,4-dimethyl-2-oxo-2H-chromen-8-yl)methyl]amino}-3-phenylpropanoic acid

IUPAC name

(2S)-2-{[(7-hydroxy-34-dimethyl-2-oxo-2H-chromen-8-yl)methyl]amino}-3-phenylpropanoic acid

SMILES

CC(c(ccc(O)c1CNC(Cc2ccccc2)C(O)=O)c1O1)=C(C)C1=O

InChI

InChI=1S/C21H21NO5/c1-12-13(2)21(26)27-19-15(12)8-9-18(23)16(19)11-22-17(20(24)25)10-14-6-4-3-5-7-14/h3-9,17,22-23H,10-11H2,1-2H3,(H,24,25)/t17-/m0/s1

InChI Key

LNQHLDWJEICHGF-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.969

Distribution Coefficient, logD

-0.730

Water Solubility, LogSw

-2.82

Polar Surface Area

76.988

Acid Dissociation Constant (pKa)

2.83

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with Y042-8710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-8710?
Check Price and Availability of Y042-8710, 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 Y042-8710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-8710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-8710
  • 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 Y042-8710 available by request