M475-0328 Screening compound: ethyl 3-[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-amido]benzoate

M475-0328 Screening compound: ethyl 3-[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-amido]benzoate
M475-0328 Screening compound: ethyl 3-[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M475-0328
ethyl 3-[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-amido]benzoate

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

M475-0328

Molecular Formula

C26H22N4O3 (C26 H22 N4 O3)

Compound Name

ethyl 3-[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-amido]benzoate

IUPAC name

ethyl 3-[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-amido]benzoate

SMILES

CCOC(c1cc(NC(c2c(-c3ccncc3)nc(-c3ccc(C)cc3)nc2)=O)ccc1)=O

InChI

InChI=1S/C26H22N4O3/c1-3-33-26(32)20-5-4-6-21(15-20)29-25(31)22-16-28-24(19-9-7-17(2)8-10-19)30-23(22)18-11-13-27-14-12-18/h4-16H,3H2,1-2H3,(H,29,31)

InChI Key

VCJUZGMTTKFBFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27544071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.073

Distribution Coefficient, logD

5.073

Water Solubility, LogSw

-4.35

Polar Surface Area

72.832

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

M475-0328 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M475-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M475-0328?
Check Price and Availability of M475-0328, 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 M475-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M475-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M475-0328
  • 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 M475-0328 available by request