4281-0025 Screening compound: N2,N4-bis(5-chloro-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine

4281-0025 Screening compound: N2,N4-bis(5-chloro-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine
4281-0025 Screening compound: N2,N4-bis(5-chloro-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4281-0025
N2,N4-bis(5-chloro-2-methylphenyl)-5-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

4281-0025

Molecular Formula

C18H15Cl2FN4 (C18 H15 Cl2 FN4)

Compound Name

N2,N4-bis(5-chloro-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine

IUPAC name

N2N4-bis(5-chloro-2-methylphenyl)-5-fluoropyrimidine-24-diamine

SMILES

Cc(ccc(Cl)c1)c1Nc(nc(Nc1c(C)ccc(Cl)c1)nc1)c1F

InChI

InChI=1S/C18H15Cl2FN4/c1-10-3-5-12(19)7-15(10)23-17-14(21)9-22-18(25-17)24-16-8-13(20)6-4-11(16)2/h3-9H,1-2H3,(H2,22,23,24,25)

InChI Key

AJUKVZYQVHNSHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02071628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.25

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.799

Distribution Coefficient, logD

5.785

Water Solubility, LogSw

-6.14

Polar Surface Area

37.534

Acid Dissociation Constant (pKa)

15.26

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4281-0025 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4281-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4281-0025?
Check Price and Availability of 4281-0025, 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 4281-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4281-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4281-0025
  • 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 4281-0025 available by request