SA04-0942 Screening compound: 5-[(benzyloxy)methyl]-4-[1-(2,4-dimethylbenzoyl)piperidin-3-yl]-2-methylpyrimidine

SA04-0942 Screening compound: 5-[(benzyloxy)methyl]-4-[1-(2,4-dimethylbenzoyl)piperidin-3-yl]-2-methylpyrimidine
SA04-0942 Screening compound: 5-[(benzyloxy)methyl]-4-[1-(2,4-dimethylbenzoyl)piperidin-3-yl]-2-methylpyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA04-0942
5-[(benzyloxy)methyl]-4-[1-(2,4-dimethylbenzoyl)piperidin-3-yl]-2-methylpyrimidine

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

SA04-0942

Molecular Formula

C27H31N3O2 (C27 H31 N3 O2)

Compound Name

5-[(benzyloxy)methyl]-4-[1-(2,4-dimethylbenzoyl)piperidin-3-yl]-2-methylpyrimidine

IUPAC name

5-[(benzyloxy)methyl]-4-[1-(24-dimethylbenzoyl)piperidin-3-yl]-2-methylpyrimidine

SMILES

Cc(cc1)cc(C)c1C(N(CCC1)CC1c1nc(C)ncc1COCc1ccccc1)=O

InChI

InChI=1S/C27H31N3O2/c1-19-11-12-25(20(2)14-19)27(31)30-13-7-10-23(16-30)26-24(15-28-21(3)29-26)18-32-17-22-8-5-4-6-9-22/h4-6,8-9,11-12,14-15,23H,7,10,13,16-18H2,1-3H3/t23-/m0/s1

InChI Key

WWWDXWKRNNPTNV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD31997559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.981

Distribution Coefficient, logD

4.981

Water Solubility, LogSw

-4.57

Polar Surface Area

44.188

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.04

SA04-0942 in Drug Discovery

Included in Screening Libraries

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA04-0942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA04-0942?
Check Price and Availability of SA04-0942, 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 SA04-0942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA04-0942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA04-0942
  • 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 SA04-0942 available by request