8008-9285 Screening compound: prop-2-en-1-yl 6-amino-5-cyano-2-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate

8008-9285 Screening compound: prop-2-en-1-yl 6-amino-5-cyano-2-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate
8008-9285 Screening compound: prop-2-en-1-yl 6-amino-5-cyano-2-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9285
prop-2-en-1-yl 6-amino-5-cyano-2-methyl-4-(3,4,5-trimethoxyphenyl)-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

8008-9285

Molecular Formula

C20H22N2O6 (C20 H22 N2 O6)

Compound Name

prop-2-en-1-yl 6-amino-5-cyano-2-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate

IUPAC name

prop-2-en-1-yl 6-amino-5-cyano-2-methyl-4-(345-trimethoxyphenyl)-4H-pyran-3-carboxylate

SMILES

CC(OC(N)=C(C1c(cc2OC)cc(OC)c2OC)C#N)=C1C(OCC=C)=O

InChI

InChI=1S/C20H22N2O6/c1-6-7-27-20(23)16-11(2)28-19(22)13(10-21)17(16)12-8-14(24-3)18(26-5)15(9-12)25-4/h6,8-9,17H,1,7,22H2,2-5H3/t17-/m1/s1

InChI Key

IQSBRVQEPKLVGY-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD01460402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.923

Distribution Coefficient, logD

1.923

Water Solubility, LogSw

-2.30

Polar Surface Area

90.718

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 8008-9285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9285?
Check Price and Availability of 8008-9285, 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 8008-9285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9285
  • 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 8008-9285 available by request