1490-0511 Screening compound: diethyl {2,2-dichloro-1-[(4-methylphenyl)formamido]ethenyl}phosphonate

1490-0511 Screening compound: diethyl {2,2-dichloro-1-[(4-methylphenyl)formamido]ethenyl}phosphonate
1490-0511 Screening compound: diethyl {2,2-dichloro-1-[(4-methylphenyl)formamido]ethenyl}phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1490-0511
diethyl {2,2-dichloro-1-[(4-methylphenyl)formamido]ethenyl}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

1490-0511

Molecular Formula

C14H18Cl2NO4P (C14 H18 Cl2 NO4 P)

Compound Name

diethyl {2,2-dichloro-1-[(4-methylphenyl)formamido]ethenyl}phosphonate

IUPAC name

diethyl {22-dichloro-1-[(4-methylphenyl)formamido]ethenyl}phosphonate

SMILES

CCOP(C(NC(c1ccc(C)cc1)=O)=C(Cl)Cl)(OCC)=O

InChI

InChI=1S/C14H18Cl2NO4P/c1-4-20-22(19,21-5-2)14(12(15)16)17-13(18)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3,(H,17,18)

InChI Key

WIORAUDKDZYFMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00181796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.18

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.132

Distribution Coefficient, logD

2.021

Water Solubility, LogSw

-3.49

Polar Surface Area

55.117

Acid Dissociation Constant (pKa)

6.32

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

1490-0511 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1490-0511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1490-0511?
Check Price and Availability of 1490-0511, 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 1490-0511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1490-0511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1490-0511
  • 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 1490-0511 available by request