C301-6685 Screening compound: 4-METHYL-N-[4-METHYL-2,6-DI(4-TOLUIDINO)-5-PYRIMIDINYL]BENZAMIDE

C301-6685 Screening compound: 4-METHYL-N-[4-METHYL-2,6-DI(4-TOLUIDINO)-5-PYRIMIDINYL]BENZAMIDE
C301-6685 Screening compound: 4-METHYL-N-[4-METHYL-2,6-DI(4-TOLUIDINO)-5-PYRIMIDINYL]BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6685
4-METHYL-N-[4-METHYL-2,6-DI(4-TOLUIDINO)-5-PYRIMIDINYL]BENZAMIDE

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

C301-6685

Molecular Formula

C27H27N5O (C27 H27 N5 O)

Compound Name

4-METHYL-N-[4-METHYL-2,6-DI(4-TOLUIDINO)-5-PYRIMIDINYL]BENZAMIDE

IUPAC name

n/a

SMILES

Cc(cc1)ccc1C(Nc1c(Nc2ccc(C)cc2)nc(Nc2ccc(C)cc2)nc1C)=O

InChI

InChI=1S/C27H27N5O/c1-17-5-11-21(12-6-17)26(33)31-24-20(4)28-27(30-23-15-9-19(3)10-16-23)32-25(24)29-22-13-7-18(2)8-14-22/h5-16H,1-4H3,(H,31,33)(H2,28,29,30,32)

InChI Key

SDOJWIFAHKEZJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

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

6.314

Distribution Coefficient, logD

6.220

Water Solubility, LogSw

-5.64

Polar Surface Area

60.681

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

C301-6685 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

C-Met Library (15277 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-6685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6685?
Check Price and Availability of C301-6685, 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 C301-6685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6685
  • 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 C301-6685 available by request