0NES-0005 Screening compound: N4-benzyl-6-fluoropyrimidine-2,4-diamine

0NES-0005 Screening compound: N4-benzyl-6-fluoropyrimidine-2,4-diamine
0NES-0005 Screening compound: N4-benzyl-6-fluoropyrimidine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0NES-0005
N4-benzyl-6-fluoropyrimidine-2,4-diamine

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

0NES-0005

Molecular Formula

C11H11FN4 (C11 H11 FN4)

Compound Name

N4-benzyl-6-fluoropyrimidine-2,4-diamine

IUPAC name

N4-benzyl-6-fluoropyrimidine-24-diamine

SMILES

Nc1nc(NCc2ccccc2)cc(F)n1

InChI

InChI=1S/C11H11FN4/c12-9-6-10(16-11(13)15-9)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,14,15,16)

InChI Key

ATIHFEARYJMWDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00219487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.23

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.903

Distribution Coefficient, logD

1.903

Water Solubility, LogSw

-2.13

Polar Surface Area

51.959

Acid Dissociation Constant (pKa)

15.22

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

0NES-0005 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Fragments
  • Pool
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 0NES-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0NES-0005?
Check Price and Availability of 0NES-0005, 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 0NES-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0NES-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0NES-0005
  • 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 0NES-0005 available by request