8009-3342 Screening compound: propan-2-yl 6-amino-5-cyano-2-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate

8009-3342 Screening compound: propan-2-yl 6-amino-5-cyano-2-methyl-4-(3,4,5-trimethoxyphenyl)-4H-pyran-3-carboxylate
8009-3342 Screening compound: propan-2-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 8009-3342
propan-2-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

8009-3342

Molecular Formula

C20H24N2O6 (C20 H24 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H24N2O6/c1-10(2)27-20(23)16-11(3)28-19(22)13(9-21)17(16)12-7-14(24-4)18(26-6)15(8-12)25-5/h7-8,10,17H,22H2,1-6H3/t17-/m1/s1

InChI Key

NCCNGNXWKZFXIQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD01571601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.364

Distribution Coefficient, logD

2.364

Water Solubility, LogSw

-2.50

Polar Surface Area

90.103

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

8009-3342 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8009-3342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3342?
Check Price and Availability of 8009-3342, 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 8009-3342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3342
  • 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 8009-3342 available by request