5264-0969 Screening compound: 1-chloro-4-methyl-2-{[methyl({4-[(trifluoromethyl)sulfanyl]phenyl}amino)phosphoryl]oxy}benzene

5264-0969 Screening compound: 1-chloro-4-methyl-2-{[methyl({4-[(trifluoromethyl)sulfanyl]phenyl}amino)phosphoryl]oxy}benzene
5264-0969 Screening compound: 1-chloro-4-methyl-2-{[methyl({4-[(trifluoromethyl)sulfanyl]phenyl}amino)phosphoryl]oxy}benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 5264-0969
1-chloro-4-methyl-2-{[methyl({4-[(trifluoromethyl)sulfanyl]phenyl}amino)phosphoryl]oxy}benzene

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

5264-0969

Molecular Formula

C15H14ClF3NO2PS (C15 H14 ClF3 NO2 PS)

Compound Name

1-chloro-4-methyl-2-{[methyl({4-[(trifluoromethyl)sulfanyl]phenyl}amino)phosphoryl]oxy}benzene

IUPAC name

1-chloro-4-methyl-2-{[methyl({4-[(trifluoromethyl)sulfanyl]phenyl}amino)phosphoryl]oxy}benzene

SMILES

Cc(cc1)cc(OP(C)(Nc(cc2)ccc2SC(F)(F)F)=O)c1Cl

InChI

InChI=1S/C15H14ClF3NO2PS/c1-10-3-8-13(16)14(9-10)22-23(2,21)20-11-4-6-12(7-5-11)24-15(17,18)19/h3-9H,1-2H3,(H,20,21)/t23-/m1/s1

InChI Key

PNVNHAZAPAUQTI-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD00567615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.165

Distribution Coefficient, logD

5.165

Water Solubility, LogSw

-5.85

Polar Surface Area

35.359

Acid Dissociation Constant (pKa)

15.96

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 5264-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5264-0969?
Check Price and Availability of 5264-0969, 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 5264-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5264-0969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5264-0969
  • 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 5264-0969 available by request