6773-1333 Screening compound: methyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate

6773-1333 Screening compound: methyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
6773-1333 Screening compound: methyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6773-1333
methyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-(2-methoxy-2-oxoethyl)-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

6773-1333

Molecular Formula

C17H15FN2O5 (C17 H15 FN2 O5)

Compound Name

methyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate

IUPAC name

methyl 6-amino-5-cyano-4-(3-fluorophenyl)-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate

SMILES

COC(CC(OC(N)=C(C1c2cccc(F)c2)C#N)=C1C(OC)=O)=O

InChI

InChI=1S/C17H15FN2O5/c1-23-13(21)7-12-15(17(22)24-2)14(11(8-19)16(20)25-12)9-4-3-5-10(18)6-9/h3-6,14H,7,20H2,1-2H3/t14-/m1/s1

InChI Key

YIXXFRXEKOUUHS-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01648315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.340

Distribution Coefficient, logD

1.340

Water Solubility, LogSw

-1.82

Polar Surface Area

88.640

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 6773-1333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6773-1333?
Check Price and Availability of 6773-1333, 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 6773-1333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6773-1333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6773-1333
  • 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 6773-1333 available by request