C301-7029 Screening compound: N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}-4-methylbenzamide

C301-7029 Screening compound: N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}-4-methylbenzamide
C301-7029 Screening compound: N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7029
N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}-4-methylbenzamide

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

C301-7029

Molecular Formula

C29H31N5O3 (C29 H31 N5 O3)

Compound Name

N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}-4-methylbenzamide

IUPAC name

N-{24-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}-4-methylbenzamide

SMILES

CCOc(cc1)ccc1Nc(nc(Nc(cc1)ccc1OCC)nc1C)c1NC(c1ccc(C)cc1)=O

InChI

InChI=1S/C29H31N5O3/c1-5-36-24-15-11-22(12-16-24)31-27-26(33-28(35)21-9-7-19(3)8-10-21)20(4)30-29(34-27)32-23-13-17-25(18-14-23)37-6-2/h7-18H,5-6H2,1-4H3,(H,33,35)(H2,30,31,32,34)

InChI Key

FMUBJPCZHLHGTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744734

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

497.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.206

Distribution Coefficient, logD

6.111

Water Solubility, LogSw

-5.54

Polar Surface Area

74.928

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

C301-7029 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)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Proteases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-7029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7029?
Check Price and Availability of C301-7029, 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 C301-7029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7029
  • 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 C301-7029 available by request