8020-2239 Screening compound: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(3,4-dimethoxyphenyl)-4H-pyran-3-carboxylate

8020-2239 Screening compound: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(3,4-dimethoxyphenyl)-4H-pyran-3-carboxylate
8020-2239 Screening compound: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(3,4-dimethoxyphenyl)-4H-pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2239
ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(3,4-dimethoxyphenyl)-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

8020-2239

Molecular Formula

C18H19ClN2O5 (C18 H19 ClN2 O5)

Compound Name

ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(3,4-dimethoxyphenyl)-4H-pyran-3-carboxylate

IUPAC name

ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(34-dimethoxyphenyl)-4H-pyran-3-carboxylate

SMILES

CCOC(C(C1c(cc2)cc(OC)c2OC)=C(CCl)OC(N)=C1C#N)=O

InChI

InChI=1S/C18H19ClN2O5/c1-4-25-18(22)16-14(8-19)26-17(21)11(9-20)15(16)10-5-6-12(23-2)13(7-10)24-3/h5-7,15H,4,8,21H2,1-3H3/t15-/m0/s1

InChI Key

UJALIOAOXTUTJU-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03011045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.81

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.065

Distribution Coefficient, logD

2.065

Water Solubility, LogSw

-2.70

Polar Surface Area

82.901

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8020-2239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2239?
Check Price and Availability of 8020-2239, 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 8020-2239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2239
  • 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 8020-2239 available by request