F733-0047 Screening compound: N-(1-benzylpiperidin-4-yl)-4-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide

F733-0047 Screening compound: N-(1-benzylpiperidin-4-yl)-4-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide
F733-0047 Screening compound: N-(1-benzylpiperidin-4-yl)-4-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F733-0047
N-(1-benzylpiperidin-4-yl)-4-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}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

F733-0047

Molecular Formula

C30H31N5O (C30 H31 N5 O)

Compound Name

N-(1-benzylpiperidin-4-yl)-4-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-4-{[6-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide

SMILES

Cc1cccc(-c2cc(Nc(cc3)ccc3C(NC3CCN(Cc4ccccc4)CC3)=O)ncn2)c1

InChI

InChI=1S/C30H31N5O/c1-22-6-5-9-25(18-22)28-19-29(32-21-31-28)33-26-12-10-24(11-13-26)30(36)34-27-14-16-35(17-15-27)20-23-7-3-2-4-8-23/h2-13,18-19,21,27H,14-17,20H2,1H3,(H,34,36)(H,31,32,33)

InChI Key

KTHRYYVVTABVAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27188648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.416

Distribution Coefficient, logD

3.970

Water Solubility, LogSw

-5.46

Polar Surface Area

56.935

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

F733-0047 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with F733-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F733-0047?
Check Price and Availability of F733-0047, 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 F733-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F733-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F733-0047
  • 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 F733-0047 available by request