1187-0279 Screening compound: diethyl {2,2,2-trichloro-1-[(2,4-dichlorophenyl)formamido]ethyl}phosphonate

1187-0279 Screening compound: diethyl {2,2,2-trichloro-1-[(2,4-dichlorophenyl)formamido]ethyl}phosphonate
1187-0279 Screening compound: diethyl {2,2,2-trichloro-1-[(2,4-dichlorophenyl)formamido]ethyl}phosphonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-0279
diethyl {2,2,2-trichloro-1-[(2,4-dichlorophenyl)formamido]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

1187-0279

Molecular Formula

C13H15Cl5NO4P (C13 H15 Cl5 NO4 P)

Compound Name

diethyl {2,2,2-trichloro-1-[(2,4-dichlorophenyl)formamido]ethyl}phosphonate

IUPAC name

diethyl {222-trichloro-1-[(24-dichlorophenyl)formamido]ethyl}phosphonate

SMILES

CCOP(C(C(Cl)(Cl)Cl)NC(c(ccc(Cl)c1)c1Cl)=O)(OCC)=O

InChI

InChI=1S/C13H15Cl5NO4P/c1-3-22-24(21,23-4-2)12(13(16,17)18)19-11(20)9-6-5-8(14)7-10(9)15/h5-7,12H,3-4H2,1-2H3,(H,19,20)/t12-/m0/s1

InChI Key

FZXONIUMWXLBES-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00222238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.518

Distribution Coefficient, logD

2.549

Water Solubility, LogSw

-4.78

Polar Surface Area

54.565

Acid Dissociation Constant (pKa)

5.44

Base Dissociation Constant (pKb)

-12.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with 1187-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-0279?
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What is the minimum amount of 1187-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-0279
  • 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 1187-0279 available by request