M475-0101 Screening compound: 2-phenyl-4-(pyridin-4-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}pyrimidine-5-carboxamide

M475-0101 Screening compound: 2-phenyl-4-(pyridin-4-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}pyrimidine-5-carboxamide
M475-0101 Screening compound: 2-phenyl-4-(pyridin-4-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M475-0101
2-phenyl-4-(pyridin-4-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}pyrimidine-5-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

M475-0101

Molecular Formula

C24H17F3N4O (C24 H17 F3 N4 O)

Compound Name

2-phenyl-4-(pyridin-4-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}pyrimidine-5-carboxamide

IUPAC name

2-phenyl-4-(pyridin-4-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}pyrimidine-5-carboxamide

SMILES

O=C(c1c(-c2ccncc2)nc(-c2ccccc2)nc1)NCc1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C24H17F3N4O/c25-24(26,27)19-8-6-16(7-9-19)14-30-23(32)20-15-29-22(18-4-2-1-3-5-18)31-21(20)17-10-12-28-13-11-17/h1-13,15H,14H2,(H,30,32)

InChI Key

TYDWKIBAUWGPQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.599

Distribution Coefficient, logD

4.599

Water Solubility, LogSw

-4.32

Polar Surface Area

53.400

Acid Dissociation Constant (pKa)

12.11

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

M475-0101 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M475-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M475-0101?
Check Price and Availability of M475-0101, 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 M475-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M475-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M475-0101
  • 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 M475-0101 available by request