4157-1654 Screening compound: 7-chloro-2-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,2lambda~5~-benzodioxaphosphinine-2-thione

4157-1654 Screening compound: 7-chloro-2-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,2lambda~5~-benzodioxaphosphinine-2-thione
4157-1654 Screening compound: 7-chloro-2-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,2lambda~5~-benzodioxaphosphinine-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4157-1654
7-chloro-2-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,2lambda~5~-benzodioxaphosphinine-2-thione

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

4157-1654

Molecular Formula

C11H8ClF6O3PS (C11 H8 ClF6 O3 PS)

Compound Name

7-chloro-2-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,2lambda~5~-benzodioxaphosphinine-2-thione

IUPAC name

7-chloro-2-ethoxy-44-bis(trifluoromethyl)-24-dihydro-132lambda5-benzodioxaphosphinine-2-thione

SMILES

CCOP(OC1(C(F)(F)F)C(F)(F)F)(Oc2c1ccc(Cl)c2)=S

InChI

InChI=1S/C11H8ClF6O3PS/c1-2-19-22(23)20-8-5-6(12)3-4-7(8)9(21-22,10(13,14)15)11(16,17)18/h3-5H,2H2,1H3/t22-/m1/s1

InChI Key

GNUBUEVYUWKMHZ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03133716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.865

Distribution Coefficient, logD

5.865

Water Solubility, LogSw

-6.13

Polar Surface Area

25.456

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 4157-1654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4157-1654?
Check Price and Availability of 4157-1654, 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 4157-1654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4157-1654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4157-1654
  • 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 4157-1654 available by request