1309-2306 Screening compound: dimethyl {2,2,2-trichloro-1-[(2Z)-3-phenylprop-2-enamido]ethyl}phosphonate

1309-2306 Screening compound: dimethyl {2,2,2-trichloro-1-[(2Z)-3-phenylprop-2-enamido]ethyl}phosphonate
1309-2306 Screening compound: dimethyl {2,2,2-trichloro-1-[(2Z)-3-phenylprop-2-enamido]ethyl}phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-2306
dimethyl {2,2,2-trichloro-1-[(2Z)-3-phenylprop-2-enamido]ethyl}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

1309-2306

Molecular Formula

C13H15Cl3NO4P (C13 H15 Cl3 NO4 P)

Compound Name

dimethyl {2,2,2-trichloro-1-[(2Z)-3-phenylprop-2-enamido]ethyl}phosphonate

IUPAC name

dimethyl {222-trichloro-1-[(2Z)-3-phenylprop-2-enamido]ethyl}phosphonate

SMILES

COP(C(C(Cl)(Cl)Cl)NC(/C=C\c1ccccc1)=O)(OC)=O

InChI

InChI=1S/C13H15Cl3NO4P/c1-20-22(19,21-2)12(13(14,15)16)17-11(18)9-8-10-6-4-3-5-7-10/h3-9,12H,1-2H3,(H,17,18)/t12-/m0/s1

InChI Key

OFRPUAPRUQZYLY-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00807845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.6

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

2.849

Distribution Coefficient, logD

2.831

Water Solubility, LogSw

-3.28

Polar Surface Area

53.577

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

-6.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

1309-2306 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1309-2306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-2306?
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What is the minimum amount of 1309-2306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-2306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-2306
  • 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 1309-2306 available by request