C301-7127 Screening compound: N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}-3,5-dimethoxybenzamide

C301-7127 Screening compound: N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}-3,5-dimethoxybenzamide
C301-7127 Screening compound: N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7127
N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}-3,5-dimethoxybenzamide

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

C301-7127

Molecular Formula

C30H33N5O5 (C30 H33 N5 O5)

Compound Name

N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}-3,5-dimethoxybenzamide

IUPAC name

N-{24-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}-35-dimethoxybenzamide

SMILES

CCOc(cc1)ccc1Nc(nc(Nc(cc1)ccc1OCC)nc1C)c1NC(c1cc(OC)cc(OC)c1)=O

InChI

InChI=1S/C30H33N5O5/c1-6-39-23-12-8-21(9-13-23)32-28-27(34-29(36)20-16-25(37-4)18-26(17-20)38-5)19(3)31-30(35-28)33-22-10-14-24(15-11-22)40-7-2/h8-18H,6-7H2,1-5H3,(H,34,36)(H2,31,32,33,35)

InChI Key

XMMZPCBRCHKCBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.048

Distribution Coefficient, logD

5.957

Water Solubility, LogSw

-5.43

Polar Surface Area

90.016

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

C301-7127 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Targeted Diversity Library (40567 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 C301-7127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7127?
Check Price and Availability of C301-7127, 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 C301-7127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7127
  • 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 C301-7127 available by request