8019-5009 Screening compound: diethyl [6-amino-5-cyano-4-(3-nitrophenyl)-2-phenyl-4H-pyran-3-yl]phosphonate

8019-5009 Screening compound: diethyl [6-amino-5-cyano-4-(3-nitrophenyl)-2-phenyl-4H-pyran-3-yl]phosphonate
8019-5009 Screening compound: diethyl [6-amino-5-cyano-4-(3-nitrophenyl)-2-phenyl-4H-pyran-3-yl]phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5009
diethyl [6-amino-5-cyano-4-(3-nitrophenyl)-2-phenyl-4H-pyran-3-yl]phosphonate

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

8019-5009

Molecular Formula

C22H22N3O6P (C22 H22 N3 O6 P)

Compound Name

diethyl [6-amino-5-cyano-4-(3-nitrophenyl)-2-phenyl-4H-pyran-3-yl]phosphonate

IUPAC name

diethyl [6-amino-5-cyano-4-(3-nitrophenyl)-2-phenyl-4H-pyran-3-yl]phosphonate

SMILES

CCOP(C(C1c2cc([N+]([O-])=O)ccc2)=C(c2ccccc2)OC(N)=C1C#N)(OCC)=O

InChI

InChI=1S/C22H22N3O6P/c1-3-29-32(28,30-4-2)21-19(16-11-8-12-17(13-16)25(26)27)18(14-23)22(24)31-20(21)15-9-6-5-7-10-15/h5-13,19H,3-4,24H2,1-2H3/t19-/m0/s1

InChI Key

OVVAIXOIAXMJOK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD10037964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.019

Distribution Coefficient, logD

3.019

Water Solubility, LogSw

-3.52

Polar Surface Area

110.252

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 8019-5009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5009?
Check Price and Availability of 8019-5009, 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 8019-5009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5009
  • 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 8019-5009 available by request