C301-7128 Screening compound: N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}-4-methylcyclohexane-1-carboxamide

C301-7128 Screening compound: N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}-4-methylcyclohexane-1-carboxamide
C301-7128 Screening compound: N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}-4-methylcyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7128
N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}-4-methylcyclohexane-1-carboxamide

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

C301-7128

Molecular Formula

C29H37N5O3 (C29 H37 N5 O3)

Compound Name

N-{2,4-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}-4-methylcyclohexane-1-carboxamide

IUPAC name

N-{24-bis[(4-ethoxyphenyl)amino]-6-methylpyrimidin-5-yl}-4-methylcyclohexane-1-carboxamide

SMILES

CCOc(cc1)ccc1Nc(nc(Nc(cc1)ccc1OCC)nc1C)c1NC(C1CCC(C)CC1)=O

InChI

InChI=1S/C29H37N5O3/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/h11-19,21H,5-10H2,1-4H3,(H,33,35)(H2,30,31,32,34)

InChI Key

YYASQLQNACMXBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744792

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

503.64

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

7.371

Distribution Coefficient, logD

7.210

Water Solubility, LogSw

-5.67

Polar Surface Area

75.120

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

C301-7128 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-7128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7128?
Check Price and Availability of C301-7128, 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 C301-7128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7128
  • 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 C301-7128 available by request