5264-0971 Screening compound: 1-chloro-2-({[(5-chloro-2-methylphenyl)amino](methyl)phosphoryl}oxy)-4-methylbenzene

5264-0971 Screening compound: 1-chloro-2-({[(5-chloro-2-methylphenyl)amino](methyl)phosphoryl}oxy)-4-methylbenzene
5264-0971 Screening compound: 1-chloro-2-({[(5-chloro-2-methylphenyl)amino](methyl)phosphoryl}oxy)-4-methylbenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 5264-0971
1-chloro-2-({[(5-chloro-2-methylphenyl)amino](methyl)phosphoryl}oxy)-4-methylbenzene

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

5264-0971

Molecular Formula

C15H16Cl2NO2P (C15 H16 Cl2 NO2 P)

Compound Name

1-chloro-2-({[(5-chloro-2-methylphenyl)amino](methyl)phosphoryl}oxy)-4-methylbenzene

IUPAC name

1-chloro-2-({[(5-chloro-2-methylphenyl)amino](methyl)phosphoryl}oxy)-4-methylbenzene

SMILES

Cc(cc1)cc(OP(C)(Nc2c(C)ccc(Cl)c2)=O)c1Cl

InChI

InChI=1S/C15H16Cl2NO2P/c1-10-4-7-13(17)15(8-10)20-21(3,19)18-14-9-12(16)6-5-11(14)2/h4-9H,1-3H3,(H,18,19)/t21-/m1/s1

InChI Key

MLRZWQZVSAVAON-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD00642414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.18

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.150

Distribution Coefficient, logD

4.150

Water Solubility, LogSw

-4.32

Polar Surface Area

34.661

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

-3.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

5264-0971 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5264-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5264-0971?
Check Price and Availability of 5264-0971, 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 5264-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5264-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5264-0971
  • 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 5264-0971 available by request