C301-7007 Screening compound: N-{2,4-BIS[(3-METHYLPHENYL)AMINO]PYRIMIDIN-5-YL}-3-FLUOROBENZAMIDE

C301-7007 Screening compound: N-{2,4-BIS[(3-METHYLPHENYL)AMINO]PYRIMIDIN-5-YL}-3-FLUOROBENZAMIDE
C301-7007 Screening compound: N-{2,4-BIS[(3-METHYLPHENYL)AMINO]PYRIMIDIN-5-YL}-3-FLUOROBENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7007
N-{2,4-BIS[(3-METHYLPHENYL)AMINO]PYRIMIDIN-5-YL}-3-FLUOROBENZAMIDE

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

C301-7007

Molecular Formula

C25H22FN5O (C25 H22 FN5 O)

Compound Name

N-{2,4-BIS[(3-METHYLPHENYL)AMINO]PYRIMIDIN-5-YL}-3-FLUOROBENZAMIDE

IUPAC name

n/a

SMILES

Cc1cccc(Nc(nc(Nc2cc(C)ccc2)nc2)c2NC(c2cccc(F)c2)=O)c1

InChI

InChI=1S/C25H22FN5O/c1-16-6-3-10-20(12-16)28-23-22(30-24(32)18-8-5-9-19(26)14-18)15-27-25(31-23)29-21-11-4-7-17(2)13-21/h3-15H,1-2H3,(H,30,32)(H2,27,28,29,31)

InChI Key

QKFJKBRSUBYXSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.922

Distribution Coefficient, logD

5.803

Water Solubility, LogSw

-5.44

Polar Surface Area

61.324

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

C301-7007 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

CNS targets activity set (6557 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-7007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7007?
Check Price and Availability of C301-7007, 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 C301-7007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7007
  • 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 C301-7007 available by request