M475-0398 Screening compound: N-[1-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)-4-(4-pyridyl)-5-pyrimidinecarboxamide

M475-0398 Screening compound: N-[1-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)-4-(4-pyridyl)-5-pyrimidinecarboxamide
M475-0398 Screening compound: N-[1-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)-4-(4-pyridyl)-5-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M475-0398
N-[1-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)-4-(4-pyridyl)-5-pyrimidinecarboxamide

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

M475-0398

Molecular Formula

C25H21FN4O (C25 H21 FN4 O)

Compound Name

N-[1-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)-4-(4-pyridyl)-5-pyrimidinecarboxamide

IUPAC name

N-[1-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carboxamide

SMILES

CC(c(cc1)ccc1F)NC(c1c(-c2ccncc2)nc(-c2ccc(C)cc2)nc1)=O

InChI

InChI=1S/C25H21FN4O/c1-16-3-5-20(6-4-16)24-28-15-22(23(30-24)19-11-13-27-14-12-19)25(31)29-17(2)18-7-9-21(26)10-8-18/h3-15,17H,1-2H3,(H,29,31)/t17-/m0/s1

InChI Key

DXLKKNXGTSXRJB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27544088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.550

Distribution Coefficient, logD

4.549

Water Solubility, LogSw

-4.05

Polar Surface Area

52.563

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

M475-0398 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M475-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M475-0398?
Check Price and Availability of M475-0398, 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 M475-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M475-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M475-0398
  • 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 M475-0398 available by request