F653-0015 Screening compound: 4-tert-butyl-N-{4-methyl-2,6-bis[(4-methylphenyl)amino]pyrimidin-5-yl}benzamide

F653-0015 Screening compound: 4-tert-butyl-N-{4-methyl-2,6-bis[(4-methylphenyl)amino]pyrimidin-5-yl}benzamide
F653-0015 Screening compound: 4-tert-butyl-N-{4-methyl-2,6-bis[(4-methylphenyl)amino]pyrimidin-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F653-0015
4-tert-butyl-N-{4-methyl-2,6-bis[(4-methylphenyl)amino]pyrimidin-5-yl}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

F653-0015

Molecular Formula

C30H33N5O (C30 H33 N5 O)

Compound Name

4-tert-butyl-N-{4-methyl-2,6-bis[(4-methylphenyl)amino]pyrimidin-5-yl}benzamide

IUPAC name

4-tert-butyl-N-{4-methyl-26-bis[(4-methylphenyl)amino]pyrimidin-5-yl}benzamide

SMILES

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

InChI

InChI=1S/C30H33N5O/c1-19-7-15-24(16-8-19)32-27-26(34-28(36)22-11-13-23(14-12-22)30(4,5)6)21(3)31-29(35-27)33-25-17-9-20(2)10-18-25/h7-18H,1-6H3,(H,34,36)(H2,31,32,33,35)

InChI Key

VEUVEHGVDGKLOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14961448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.685

Distribution Coefficient, logD

7.591

Water Solubility, LogSw

-5.85

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

23.30

F653-0015 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 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
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F653-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F653-0015?
Check Price and Availability of F653-0015, 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 F653-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F653-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F653-0015
  • 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 F653-0015 available by request