8003-6093 Screening compound: benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate

8003-6093 Screening compound: benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate
8003-6093 Screening compound: benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-6093
benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-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

8003-6093

Molecular Formula

C23H22N2O3 (C23 H22 N2 O3)

Compound Name

benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate

IUPAC name

benzyl 6-amino-5-cyano-4-(4-ethylphenyl)-2-methyl-4H-pyran-3-carboxylate

SMILES

CCc1ccc(C2C(C#N)=C(N)OC(C)=C2C(OCc2ccccc2)=O)cc1

InChI

InChI=1S/C23H22N2O3/c1-3-16-9-11-18(12-10-16)21-19(13-24)22(25)28-15(2)20(21)23(26)27-14-17-7-5-4-6-8-17/h4-12,21H,3,14,25H2,1-2H3/t21-/m1/s1

InChI Key

IUCWMOPKDOOUHX-OAQYLSRUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.124

Distribution Coefficient, logD

4.124

Water Solubility, LogSw

-4.62

Polar Surface Area

67.550

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 8003-6093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-6093?
Check Price and Availability of 8003-6093, 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 8003-6093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-6093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-6093
  • 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 8003-6093 available by request