5311-0150 Screening compound: 3-methylbutyl [4-(dimethylamino)phenyl][(2-fluorophenyl)(hydroxy)methyl]phosphinate

5311-0150 Screening compound: 3-methylbutyl [4-(dimethylamino)phenyl][(2-fluorophenyl)(hydroxy)methyl]phosphinate
5311-0150 Screening compound: 3-methylbutyl [4-(dimethylamino)phenyl][(2-fluorophenyl)(hydroxy)methyl]phosphinate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5311-0150
3-methylbutyl [4-(dimethylamino)phenyl][(2-fluorophenyl)(hydroxy)methyl]phosphinate

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

5311-0150

Molecular Formula

C20H27FNO3P (C20 H27 FNO3 P)

Compound Name

3-methylbutyl [4-(dimethylamino)phenyl][(2-fluorophenyl)(hydroxy)methyl]phosphinate

IUPAC name

3-methylbutyl [4-(dimethylamino)phenyl][(2-fluorophenyl)(hydroxy)methyl]phosphinate

SMILES

CC(C)CCOP(C(c(cccc1)c1F)O)(c(cc1)ccc1N(C)C)=O

InChI

InChI=1S/C20H27FNO3P/c1-15(2)13-14-25-26(24,17-11-9-16(10-12-17)22(3)4)20(23)18-7-5-6-8-19(18)21/h5-12,15,20,23H,13-14H2,1-4H3

InChI Key

UFRDRUHXXDFRBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.407

Distribution Coefficient, logD

4.407

Water Solubility, LogSw

-4.17

Polar Surface Area

41.140

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

5311-0150 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5311-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5311-0150?
Check Price and Availability of 5311-0150, 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 5311-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5311-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5311-0150
  • 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 5311-0150 available by request