D416-0458 Screening compound: 2-(2-fluoroanilino)-6-methyl-4(3H)-pyrimidinone

D416-0458 Screening compound: 2-(2-fluoroanilino)-6-methyl-4(3H)-pyrimidinone
D416-0458 Screening compound: 2-(2-fluoroanilino)-6-methyl-4(3H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound D416-0458
2-(2-fluoroanilino)-6-methyl-4(3H)-pyrimidinone

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

D416-0458

Molecular Formula

C11H10FN3O (C11 H10 FN3 O)

Compound Name

2-(2-fluoroanilino)-6-methyl-4(3H)-pyrimidinone

IUPAC name

2-[(2-fluorophenyl)amino]-6-methyl-34-dihydropyrimidin-4-one

SMILES

CC(N=C(Nc(cccc1)c1F)N1)=CC1=O

InChI

InChI=1S/C11H10FN3O/c1-7-6-10(16)15-11(13-7)14-9-5-3-2-4-8(9)12/h2-6H,1H3,(H2,13,14,15,16)

InChI Key

IUGVDIIGYVAKAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09057371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.669

Distribution Coefficient, logD

1.446

Water Solubility, LogSw

-2.02

Polar Surface Area

43.659

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

D416-0458 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D416-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D416-0458?
Check Price and Availability of D416-0458, 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 D416-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D416-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D416-0458
  • 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 D416-0458 available by request