M373-0331 Screening compound: 3-methyl-1-(3-{2-[(3-methylphenyl)amino]pyrimidin-4-yl}piperidin-1-yl)butan-1-one

M373-0331 Screening compound: 3-methyl-1-(3-{2-[(3-methylphenyl)amino]pyrimidin-4-yl}piperidin-1-yl)butan-1-one
M373-0331 Screening compound: 3-methyl-1-(3-{2-[(3-methylphenyl)amino]pyrimidin-4-yl}piperidin-1-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M373-0331
3-methyl-1-(3-{2-[(3-methylphenyl)amino]pyrimidin-4-yl}piperidin-1-yl)butan-1-one

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

M373-0331

Molecular Formula

C21H28N4O (C21 H28 N4 O)

Compound Name

3-methyl-1-(3-{2-[(3-methylphenyl)amino]pyrimidin-4-yl}piperidin-1-yl)butan-1-one

IUPAC name

3-methyl-1-(3-{2-[(3-methylphenyl)amino]pyrimidin-4-yl}piperidin-1-yl)butan-1-one

SMILES

CC(C)CC(N(CCC1)CC1c1nc(Nc2cc(C)ccc2)ncc1)=O

InChI

InChI=1S/C21H28N4O/c1-15(2)12-20(26)25-11-5-7-17(14-25)19-9-10-22-21(24-19)23-18-8-4-6-16(3)13-18/h4,6,8-10,13,15,17H,5,7,11-12,14H2,1-3H3,(H,22,23,24)/t17-/m0/s1

InChI Key

NHKBLCBBBKRPKC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27539182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.266

Distribution Coefficient, logD

4.262

Water Solubility, LogSw

-4.25

Polar Surface Area

45.343

Acid Dissociation Constant (pKa)

19.09

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

M373-0331 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M373-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M373-0331?
Check Price and Availability of M373-0331, 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 M373-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M373-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M373-0331
  • 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 M373-0331 available by request