M475-0363 Screening compound: 1-[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carbonyl]azepane

M475-0363 Screening compound: 1-[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carbonyl]azepane
M475-0363 Screening compound: 1-[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carbonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound M475-0363
1-[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carbonyl]azepane

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

M475-0363

Molecular Formula

C23H24N4O (C23 H24 N4 O)

Compound Name

1-[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carbonyl]azepane

IUPAC name

1-[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carbonyl]azepane

SMILES

Cc(cc1)ccc1-c(nc1)nc(-c2ccncc2)c1C(N1CCCCCC1)=O

InChI

InChI=1S/C23H24N4O/c1-17-6-8-19(9-7-17)22-25-16-20(21(26-22)18-10-12-24-13-11-18)23(28)27-14-4-2-3-5-15-27/h6-13,16H,2-5,14-15H2,1H3

InChI Key

URBBJWOIFCAFAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27544081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.010

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-3.98

Polar Surface Area

45.966

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

M475-0363 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with M475-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M475-0363?
Check Price and Availability of M475-0363, 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 M475-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M475-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M475-0363
  • 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 M475-0363 available by request