Y501-4532 Screening compound: ethyl 6-amino-5-cyano-4-{5-[(2,6-dimethoxyphenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-4H-pyran-3-carboxylate

Y501-4532 Screening compound: ethyl 6-amino-5-cyano-4-{5-[(2,6-dimethoxyphenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-4H-pyran-3-carboxylate
Y501-4532 Screening compound: ethyl 6-amino-5-cyano-4-{5-[(2,6-dimethoxyphenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-4H-pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-4532
ethyl 6-amino-5-cyano-4-{5-[(2,6-dimethoxyphenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-4H-pyran-3-carboxylate

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

Y501-4532

Molecular Formula

C27H30N2O6 (C27 H30 N2 O6)

Compound Name

ethyl 6-amino-5-cyano-4-{5-[(2,6-dimethoxyphenoxy)methyl]-2,4-dimethylphenyl}-2-methyl-4H-pyran-3-carboxylate

IUPAC name

ethyl 6-amino-5-cyano-4-{5-[(26-dimethoxyphenoxy)methyl]-24-dimethylphenyl}-2-methyl-4H-pyran-3-carboxylate

SMILES

CCOC(C(C1c2c(C)cc(C)c(COc(c(OC)ccc3)c3OC)c2)=C(C)OC(N)=C1C#N)=O

InChI

InChI=1S/C27H30N2O6/c1-7-33-27(30)23-17(4)35-26(29)20(13-28)24(23)19-12-18(15(2)11-16(19)3)14-34-25-21(31-5)9-8-10-22(25)32-6/h8-12,24H,7,14,29H2,1-6H3/t24-/m1/s1

InChI Key

DJIQQCIFPNWXCO-XMMPIXPASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.189

Distribution Coefficient, logD

4.189

Water Solubility, LogSw

-4.56

Polar Surface Area

90.108

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with Y501-4532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-4532?
Check Price and Availability of Y501-4532, 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 Y501-4532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-4532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-4532
  • 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 Y501-4532 available by request